Structure Data of Free Polyatomic Molecules 
Subvolume D: Molecules containing Five or More Carbon Atoms 
Molecules containing 5 Carbon Atoms Element System C -Fe- 
No. Hill Formula Structure Formula	Name 
617 C5FeO5 O	Pentacarbonyliron 
O
C 
C 


FeC O C 
O
C
O

Element System C -H - with 1 to 5 Hydrogen Atoms 
No. Hill Formula Structure Formula	Name 
618 C5H .. HCC 

. 
619 C5HF3 F3CC=CC=CH620 C5H2 H 


CC CCC: H 

621	C5H2 H C 
C 



C 
C 


C: 
H 622 C5H2 

C: HC 
C 

H 623 C5H2 

CCC: 
624 C5H3N 

C
C 
CN H 
625 C5H4ClN 


N Cl 
3-Ethynyl-3-cyclopropen-1-yl-2-ylidene 
 5,5,5-Trifluoro-1,3-pentadiyne 1,2,3,4-Pentatetraenylidene 
1,2-Pentadien-4-yn-1-ylidene 

2-Ethynyl-2-cyclopropen-1-ylidene 
2-(Cyclopropen-1-ylidene)ethenylidene (2Z)-2-Penten-4-ynenitrile 
2-Chloropyridine 
626 C5H4ClN 


Cl	3-Chloropyridine 

N 

No.  Hill Formula  Structure Formula  Name  
627  C5H4ClN  Cl  4-Chloropyridine  
N  
628  C5H4OS  OCS  2(HC=CH)  Carbonyl sulfide  ethyne (1/2)  
629  C5H4O2  O . CO  Furan  carbon monoxide (1/1)  
630  C5H5In  
 Cyclopentadienylindium(I)  
In  
631  C5H5NNe  
 Pyridine  neon (1/1)  
. Ne  
N  
632  C5H5NO3S  
 Pyridine  sulfur trioxide (1/1)  
. SO3  
N  
633  C5H5Tl  
 Cyclopentadienylthallium(I)  
Tl  

Element System C -H - with 6 to 10 Hydrogen Atoms 
No. Hill Formula Structure Formula Name 
634 
635 
636 
637 638 
639 640 C5H6ClN 
C5H6FN 
C5H6FN 
C5H6O2 
C5H6S 
C5H7ArN 
C5H7Ar2N 


Pyridine  hydrogen chloride (1/1) 
. HCl 
N 


F Trans-1-Cyano-3-fluorobut-1-ene 
C
H3C 


N 

Pyridine  hydrogen fluoride (1/1) 
. HF 
N 



2-Methoxyfuran 

CH3
OO 


CH3 3-Methylthiophene 

S 


N-Methyl-1H-pyrrole  argon (1/1) 

NCH3 . Ar 


N-Methyl-1H-pyrrole  argon (1/2) 
NCH3 . 2Ar 641 C5H7Cl 



Cl 1-Chlorocyclopentene 


642 
643 
644 
645 
646 
647 
648 
649 
650 651 652 
653 
654 C5H7N C5H7N 
C5H7NO C5H7NO2 
C5H8 C5H8O C5H8O 
C5H8O2 
C5H9Br C5H9Cl C5H9ClO 
C5H9F3Si 
C5H9F6NOSi 



NCH3 
NH2 C 
C 
H NH2 


O . H2O 




N

O
H 


CH3

C 
C 
H 


OH 
OH 



CH2
O


CH3H2C O 

CH3 Br 



CH2 . HCl 


.
O HCl 

H3CCH

3 F 
Si CH3 
FF F 
F 
F CH3 


CH3F

N 

Si 
O 




CH3


F F 
1-Methyl-1H-pyrrole 
1-Amino-1-ethynylcyclopropane 
2-Furanmethanamine 
2-Pyridinone  water (1/1) 
1-Pentyne 
2-Cyclopropylideneethanol 
1-Ethenylcyclopropan-1-ol 
Methyl 2-methyl-2-propenoate 

Bromocyclopentane 
Methylenecyclobutane  hydrogen chloride (1/1) 
6-Oxabicyclo[3.1.0]hexane  hydrogen chloride (1/1) 

Trifluoro(trimethylsilyl)ethene 

1,1,1,1',1',1'-Hexafluoro-N-(trimethylsilyloxy)dimethylamine 
655 C5H9N H3C 

C 
Butyl cyanide 
N 

656 
657 
658 
659 
660 661 
662 
663 
664 
665 
666 
667 C5H9N 
C5H9NO 
C5H9NO 
C5H9NO2 
C5H10 C5H10N2 
C5H10N2O 
C5H10O 
C5H10O 
C5H10O2 
C5H10O2 
C5H10S 


NH2
CH2

CH3


O
H3C 


C 
N O NH 
O NH OH H2C 
H3C 





CH3 
H3C 
NCN H3C 




O
N

H NH2 
O H3C 


CH3 



O 



O 
CH3 CH3 H 
O CH3 



OH O 



S 

1-Amino-1-ethenylcyclopropane 
t-Butyl isocyanate 
2-Piperidinone 
Proline 
1-Pentene N,N-Diethylcyanamide  
Prolinamide 
3-Pentanone 
Tetrahydropyran 

Formic acid 1,1-dimethylethyl ester 
Tetrahydro-2-furanmethanol 
Pentamethylene sulfide 

Element System C -H - with more than 10 Hydrogen Atoms 
No. Hill Formula Structure Formula Name 
668 C5H11ClO 



Tetrahydro-2H-pyran  hydrogen chloride (1/1) 

O . HCl 

669 C5H11ClS 



Tetrahydro-2H-thiopyran  hydrogen chloride (1/1) 

S . HCl 

670 C5H11FO 



Tetrahydro-2H-pyran  hydrogen fluoride (1/1) 

O .HF 


No.  Hill Formula  Structure Formula  Name  
671  C5H11FS  S . HF  Tetrahydro-2H-thiopyran  hydrogen fluoride (1/1)  
672  C5H11N  NH  Piperidine  
673  C5H12O  H3C O CH3 CH3 CH3  t-Butyl methyl ether  
674  C5H12OSi  Si CH3  3,3-Dimethyl-1-oxa-3-silacyclopentane  
O CH3  
675  C5H12O2  O H2O.  Tetrahydro-2H-pyran  water (1/1)  
676  C5H12SSi  Si CH3  3,3-Dimethyl-1-thia-3-silacyclopentane  
S CH3  
677  C5H12Si  H2C Si CH3 CH3 CH3  Ethenyltrimethylsilane  
678  C5H12Si  Si CH3  1,1-Dimethyl-1-silacyclobutane  
CH3  
679  C5H13NO  NH . H2O  Piperidine  water (1/1)  
680  C5H13NSi  CH3  1-(Trimethylsilyl)aziridine  
NSi CH3  
CH3  
681  C5H15As  As(CH3)5  Pentamethylarsorane  
682  C5H15GeNO  O GeN H3C CH3  N-Methyl-N-[(trimethylgermyl)oxy]methanamine  
CH3 CH3 CH3  
683  C5H15NOSi  O SiN H3C CH3  N-Methyl-N-[(trimethylsilyl)oxy]methanamine  
CH3 CH3 CH3  
684  C5H15NOSn  O SnN H3C CH3  N-Methyl-N-[(trimethylstannyl)oxy]methanamine  
CH3 CH3 CH3  
685  C5H15NSi2  H2Si SiH2  1-(1-Methylethyl)-1-aza-2,5-disilacyclopentane  
N  
CH3H3C  

Element System C -S - 
No. Hill Formula Structure Formula Name 
686 C5S C=C=C=C=C=S Pentacarbon monosulfide 
No.  Hill Formula  Structure Formula  Name  
687  C6ArCrO6  Cr(CO)6  Ar  Chromiumhexacarbonyl  argon (1/1)  
688  C6ArMoO6  Mo(CO)6  Ar  Molybdenumhexacarbonyl  argon (1/1)  
689  C6ArO6W  W(CO)6  Ar  Tungstenhexacarbonyl  argon (1/1)  

Element System C -Cr- 
No.  Hill Formula  Structure Formula  Name  
690  C6CrKrO6  Cr(CO)6  Kr  Chromiumhexacarbonyl  krypton (1/1)  
691  C6CrO6Xe  Cr(CO)6  Xe  Chromiumhexacarbonyl  xenon (1/1)  

Element System C -F - 
No.  Hill Formula  Structure Formula  Name  
692  C6F4N2S2  F  5,6,7,8-Tetrafluoro-1,3.4d2,2,4-benzodithiadiazine  
N S F  
N SF  
F  
693  C6F18N3P3  F3C CF3 CF3  2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexakis-(trifluoromethyl)1,3,5,2,4,6-triazatriphosphorine 

 




Element System C -H - with 1 to 5 Hydrogen Atoms 
No. Hill Formula Structure Formula Name 
694 C6HN C CC N 2-(Cyanoethynyl)-2-cyclopropen-1-ylidene 

C: 

695 C6H2+ H-C=C-C=C-C=C-H+ Triacetylene cation 
696 C6H3ArF3 

F 1,2,3-Trifluorobenzene  argon (1/1) 

F .Ar 
F 

697 C6H3ArF3 

F 1,2,4-Trifluorobenzene  argon (1/1) F 
F .Ar 

698 C6H3F3 

F 1,2,4-Trifluorobenzene 
F F 

699 C6H4 H 

H Cis-Hex-3-ene-1,5-diyne (1) 
CC

CC
HH

700 C6H4ArF2 


F 1,4-Difluorobenzene  argon (1/1) . Ar F 
701 C6H4FeO4 H 

H Tetracarbonyl(.2-ethene)iron 
HH 

O CFeCO

CC

OO

702 C6H4N2 
1-Cyclobutene-1,2-dicarbonitrile 


C
C
NN

703 C6H4N2O6 O2N NO2 4,6-Dinitro-1,3-benzenediol 


HO OH 704 C6H4N2S2 
1,3.4d2,2,4-Benzodithiadiazine
S N 
705 C6H5ArCl 
Cl Chlorobenzene  argon (1/1) . Ar 



706 C6H5ArF F Fluorobenzene  argon (1/1) . Ar 

707 C6H5BrFeO3 


.3-Allylbromotricarbonyliron 




Fe Br
C
O 
CC


O
O 
708 C6H5ClNe Cl Chlorobenzene  neon (1/1) . Ne 709 C6H5Cl2P Cl Phenylphosphonous dichloride 



No. 710  Hill Formula C6H5FKr  Structure Formula F . Kr  Name Fluorobenzene  krypton (1/1)  
711  C6H5FNe  F . Ne  Fluorobenzene  neon (1/1)  
712  C6H5NO2  NO2  Nitrobenzene  
713  C6H5NO3  OH  2-Nitrophenol  
NO2  
714  C6H5NO4  NO2 OH  1,3-Dihydroxy-2-nitrobenzene  
OH  

Element System C -H - with 6 to 10 Hydrogen Atoms 
No. Hill Formula Structure Formula Name 
715  C6H6  
716  C6H6Ar+  
717  C6H6ClF  
718  C6H6FN  
719  C6H6Kr+  
720  C6H6Ne+  
721  C6H6O  



Benzene 
Benzene cation  argon (1/1) 
. Ar Benzene  chlorine fluoride (1/1) 
. ClF NH2 4-Fluoroaniline F 



Benzene cation  krypton (1/1) 
. Kr Benzene cation  neon (1/1) 
. Ne
OH Phenol




722 C6H6O2 OH Resorcinol 

OH 

723 C6H7ArN NH2 Aniline  argon (1/1) . Ar 


724 C6H7Br 


Benzene  hydrogen bromide (1/1) 
. HBr 


725 C6H7F3O4 


O 

F O Trifluoroacetic acid  cyclopropanecarboxylic acid (1/1) .F OHF OH 
726 C6H7N 



C 
5-Hexynenitrile 
C 
C 
N 
H 
727 C6H7N 


NH2 Benzenamine 

728  C6H7N  
729  C6H7NNe  
730  C6H8  
731  C6H8  
732  C6H8  
733  C6H8  
734  C6H8  
735  C6H8O  
736  C6H8O2  
737  C6H8Si  



CH3 4-Methylpyridine N NH2 Aniline  neon (1/1) . Ne 



C 
2-Propynylcyclopropane C H 
CH3 3-Ethenyl-3-methylcyclopropene CH2 Ethynylcyclobutane 

CCH 1,3-Cyclohexadiene 

1,4-Cyclohexadiene 

Benzene  water (1/1) 
. H2O OH Phenol  water (1/1) . H2O SiH3 Phenylsilane 



738 C6H8Sn 


SnD3 Phenylstannane-d3 


739 C6H9NO 


NH2 Aniline  water (1/1) . H2O 
740 C6H10Cl2 


Cl Trans-1,4-Dichlorocyclohexane 
Cl 741 C6H10O2 HO 

3-Hexyne-1,6-diol C 

C 


OH 742 C6H10Si2 

SiH3 1,2-Phenylenebissilane 
SiH3 743 C6H10Si2 SiH3 1,3-Phenylenebissilane 



SiH3 
744 C6H10Si2 


1,4-Phenylenebissilane
H3Si 
SiH3 

Element System C -H - with more than 10 Hydrogen Atoms 
No. Hill Formula Structure Formula Name 
745 C6H11ClO 

7-Oxabicyclo[2.2.1]heptane  hydrogen chloride (1/1) 
. HCl 


746 C6H11FO 

O 7-Oxabicyclo[2.2.1]heptane  hydrogen fluoride (1/1) . HF 
747  C6H12  H2C  
 CH3  1-Hexene  
748  C6H12BNO3  
 
 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane  
749  C6H12Ge  
 CH3  1,1-Dimethylgermacyclopent-3-ene  

 CH3  
750  C6H12O  H3C  O  CH2  2-(Ethenyloxy)-2-methylpropane  
H3C  CH3  
751  C6H12O4  H3C  O  CH3  Tetramethoxyethene  
H3C  O  O  CH3  






S SS 
752 C6H12S3 

CH3
753 C6H12Si 


Si 

CH3 


754 C6H14O H3C 

O CH3 
CH3
CH3 
755 C6H14Si 

SiH CH3 



CH3

Si Si H3C 
756 C6H16Si2 H3C 
CH3 

757 C6H18AsN3	CH3 CH3 N 


N H3C 
As 




CH3 


N H3C 


CH3 758 C6H18InN (CH3)3N  In(CH3)3 
759 C6H18NSi2Tl Tl H3C 


N 

CH3


Si 


Si H3C 



CH3CH3 CH3 
760 C6H18N3P 	CH3 CH3 N 


N H3C 
P 


CH3 

N H3C 


CH3 
761 C6H18N3Sb 	CH3 CH3 N 


N H3C 
Sb 




CH3 


N H3C 


CH3 762 C6H18OSi2 H3C 


O 

CH3


Si 


Si H3C 



CH3CH3 CH3 

CH3 HBH CH3 



763 C6H20B4 

H CH3 

BB
H 
H H BH H 

764 C6H21Al3 H3CCH


3 Al 
H 


H H3C 





CH3



H 
CH3


Al 
Al 
H3C 



1,4,7-Trithiacyclononane 
1,1-Dimethylsilacyclopent-3-ene t-Butyl ethyl ether 

1-Methylsilacyclohexane 1,1,3,3-Tetramethyl-1,3-disilacyclobutane Tris(dimethylamino)arsine 
(N,N-Dimethylmethanamine)trimethylindium Thallium bis(trimethylsilyl)amide 
Tris(dimethylamino)phosphine 
Tris(dimethylamino)stibine 
Hexamethyldisiloxane 

2,4[1-(1,1-Dimethylethyl)-1,2-ethanediyl]tetraborane(10) 
Tri--hydrohexamethyltrialuminum 
No.  Hill Formula  Structure Formula  Name  
765  C6KrMoO6  Mo(CO)6  Kr  Molybdenumhexacarbonyl  krypton (1/1)  
766  C6KrO6W  W(CO)6  Kr  Tungstenhexacarbonyl  krypton (1/1)  

Element System C -Mo- 
No. Hill Formula Structure Formula Name 
767 C6MoO6Xe Mo(CO)6  Xe Molybdenumhexacarbonyl  xenon (1/1) 
Element System C -O - 
No. Hill Formula Structure Formula Name 
768 C6O6WXe W(CO)6  Xe Tungstenhexacarbonyl  xenon (1/1) 
Element System C -Si- 
No. Hill Formula Structure Formula Name 
769 C6Si C=C=C=C=C=C=Si 6-Silanetetrayl-1,2,3,4,5-hexapentaenylidene 
Molecules containing 7 Carbon Atoms Element System C -H - with 1 to 5 Hydrogen Atoms 
No.  Hill Formula  Structure Formula  Name  
770  C7HN  HC=CC=CC=CC=N  1-Cyano-1,3,5-hexatriyne  
771  C7H2  
 2-(1,3-Butadiynyl)-2-cyclopropen-1-ylidene  
H  
H  


772 C7H4FNS 
2-Fluorophenyl isothiocyanate 
S 


773 C7H3F2N 

F 2,6-Difluorobenzonitrile CN F 
774 
775 
776 
777 
778 
779 
780 
781 
782 
783 
784 
785 C7H5ArN 
C7H5BrO 
C7H5ClO 
C7H5Cl3 
C7H5FO 
C7H5FO 
C7H5FO 
C7H5FO 
C7H5F3O 
C7H5F3O 
C7H5NO 
C7H5O2Rh 

Br 
Cl 


F 
F OH 








C 
O 

Benzonitrile  argon (1/1) 
.
CN Ar 



O 4-Bromobenzaldehyde 
H 
O 4-Chlorobenzaldehyde 

H 
Cl (Trichloromethyl)benzene  
Cl
Cl

O 2-Fluorobenzaldehyde H 

F O 3-Fluorobenzaldehyde H 





O 4-Fluorobenzaldehyde 
H 



F Fluorobenzene  carbon monoxide (1/1) 
. CO




F 2-(Trifluoromethyl)phenol 
F
F



O 

F (Trifluoromethoxy)benzene 
F 


F 
3H-Pyrrolizin-3-one O 

Dicarbonyl(.5-2,4-cyclopentadien-1-yl)rhodium 

Rh C 

O 
No. Hill Formula Structure Formula Name 
786 C7H6O O Benzaldehyde H 



787 C7H6O2 O Benzoic acid OH 



788 C7H6O2 O 2-Hydroxybenzaldehyde H OH 789 C7H6O2 

O 

OH Tropolone OH 

O 



790 C7H7ArF CH3 1-Fluoro-4-methylbenzene  argon (1/1) . Ar F 


791 C7H7BrO2S OO 4-Methylbenzenesulfonyl bromide 
792 C7H7ClO2S OO 4-Methylbenzenesulfonyl chloride 
793 C7H7F F Benzyl fluoride 



794 C7H7F 
CH3 1-Fluoro-4-methylbenzene 


F 795 C7H7FO2S OO 4-Methylbenzenesulfonyl fluoride 
796 C7H7NO O Benzamide NH2 797 C7H7NO 

NH 





O N-Phenylformamide 
H 
798 C7H7NO 


OH (E)-Benzaldehyde oxime 
N 


H 

799 800 
801 
802 
803 
804 
805 
806 
807 
C7H7NO 
C7H7NO2

C7H7NO2

C7H7NO2

C7H7NO2

C7H8N2

C7H8O 
C7H8Si 
C7H10O 


Benzonitrile  water 
.
CN H2O 
CH3 1-Methyl-2-nitrobenzene 
NO2 

O 2-Pyridinecarboxylic acid methyl ester 

CH3
O
N



O 3-Pyridinecarboxylic acid methyl ester 

CH3O 

N 
O Methyl isonicotinate 


CH3
O N 



N 1,1-Cyclopentanedicarbonitrile 
C
C




N 

OH 2-Methylphenol 

CH3 H 1,1-Diethynylsilacyclobutane 

C 
C 
Si 

C 
C 


H
O Dicyclopropyl ketone 




808 C7H10O2 OH Phenol  methanol (1/1) . CH3OH 



No. Hill Formula Structure Formula Name 
809 C7H11N 
(Dicyclopropylmethylene)amine 

810 C7H11NO 


NH2 Aniline  methanol (1/1) . CH3OH 
811 C7H12O O 2-Methylcyclohexanone 



CH3 812 C7H13N 

1-Azabicyclo[2.2.2]octane N 
813 C7H13N3 
1,1',1''-Methylidynetrisaziridine 


N 


814 C7H16Ge H3C CH3 1,1,3,3-Tetramethylgermetane 

Ge 
CH3 815 C7H19Br3Si3 H3C 

Br 

CH3 Methylidynetris(bromodimethylsilane) Si H3C 
H3C 


CH3 

Si 
Si 
Br 
Br
CH3 CH3


816 C7H20GaN H3C 


CH3 N-Ethylethanamine  trimethylgallium (1/1) 
H3CGa 
NH


H3C

CH3 817 C7H20N3P CH2 N,N,N',N',N",N"-Hexamethyl-1-methylenephosphoranetriamine H3C 
CH3 

818 C7H22Si3 H3C 

CH3 Methylidynetris(dimethylsilane) 
SiH
H3C




CH3 
HSi 
SiH
CH3 CH3



819 C7H24Si4 H3C 


CH3 (Silylmethylidyne)tris(dimethylsilane) 
SiH
SiH3
H3C




CH3 
HSi 
SiH
CH3 CH3








No. Hill Formula Structure Formula Name 
820 C8H5O3Re 

Re 


C 


C 
O
C 

O O 
821 C8H6Ar 


CC H. Ar 
822 C8H6Cl2O O Cl 
Cl 


823 C8H6O4 O HO 


H H O 824 C8H6S 

825 C8H7ArF 


CH2 
. Ar 
F 

826 C8H7ArN 


. Ar 
N
H 
827 C8H7Br 


CH2 

Br
828 C8H7Br 

829 C8H7Br 
Br 


830 C8H7ClO2 O 

CH3
O 


Tricarbonyl(.5-2,4-cyclopentadien-1-yl)rhenium 
Phenylacetylene  argon (1/1) 
2,2-Dichloro-1-phenylethanone 

2,5-Dihydroxy-1,4-benzenedicarboxaldehyde 
Benzo[b]thiophene 

1-Ethenyl-4-fluorobenzene  argon (1/1) 
1H-Indole  argon (1/1) 
1-Bromo-2-ethenylbenzene 
(E)-(2-Bromoethenyl)benzene 
(Z)-(2-Bromoethenyl)benzene 
3-Chlorobenzoic acid methyl ester 

Cl 

No.  Hill Formula  Structure Formula  Name  
831  C8H7FNe  CH2  1-Ethenyl-4-fluorobenzene  neon (1/1)  
. Ne  
F  
832  C8H7N  CH3  m-Methylbenzonitrile  
C  
N  
833  C8H8  CH2  Ethenylbenzene  
834  C8H8FeO3  CH3  Tricarbonyl(isoprene)iron  
Fe  
C C O OC  
O  
835  C8H8FeO3  CH3  Tricarbonyl(trans-1,3-pentadiene)iron  
Fe  
CC  
CO O  
O  
836  C8H8O  CH3  3-Ethynyl-2-methyl-2-cyclopenten-1-one  
O C C H  
837  C8H8O2  O  p-Methoxybenzaldehyde  
H  
O H3C  
838  C8H8O3  O CH3  Methoxybenzene  carbon dioxide (1/1)  
. CO2  
839  C8H9N  
 2,3-Cyclopentenopyridine  
N  
840  C8H9NO  NH CH3  Acetanilide  
O  
841  C8H9NO  
 1H-Indole  water (1/1)  
. H2O  
NH  

No. Hill Formula Structure Formula	Name 
842 C8H10 H2C
3,4-Bis(methylene)-1,5-hexadiene 


CH2 

CH2
H2C 

843 C8H10 CH3 Ethylbenzene 

844 C8H10 


CH3	1,3-Dimethylbenzene 


CH3 845 C8H10ClN2P 
2-Chloro-2,3-dihydro-1,3-dimethyl-1H-1,3,2benzodiazaphosphole Cl 
CH3 

846 C8H10N2 1H-Pyrrole dimer 
NH . 



NH 847 C8H10O CH3 3-Ethenyl-2-methyl-2-cyclopenten-1-one 


848 C8H10O OH 2-Phenylethanol 




849 C8H12 CH2	1,1'-Ethenylidenebiscyclopropane 


850 C8H12O CH3	3-Ethyl-2-methyl-2-cyclopenten-1-one 
O 


CH3 
851 C8H12S6 

CH3	1,3,5,7-Tetramethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane 
SS
S
H3C S

CH3
SS
H3C


852 C8H16B10 1-Phenyl-1,2-dicarba-closo-dodecaborane(12) 
B 


853 C8H18Cl3PSi Cl Di-t-butyl(trichlorosilyl)phosphine 
H3C
H3C

CH3 
854 C8H18Cl4Si2 1,1,2,2-Tetrachloro-1,2-bis(1,1-dimethylethyl)disilane 

H3C 
Si CH3
H3C Si

Cl Cl CH3CH3 

855 C8H18F4N2Si2 FF 


1,3-Bis(1,1-dimethylethyl)-2,2,4,4-tetrafluorocyclodisilazane H3

C Si 

CH3 H3C 
N N 

CH3
H3C 

Si 
CH3
F

F 856 C8H18F4Si2 FF CH31,2-Bis(1,1-dimethylethyl)-1,1,2,2-tetrafluorodisilane  
CH3 

857 C8H18N2S CH3 N,N'-Bis(1,1-dimethylethyl)sulfur diimide 
CH3 

858 C8H18Si2 H3C 


CH3 1,2-Ethynediylbis(trimethylsilane) H3C

SiC CSi

CH3 H3C CH3 
859 C8H18Sn2 H3C 


CH3 1,2-Ethynediylbis(trimethylstannane) H3C

SnC CSn 

CH3 H3C CH3 
860 C8H22B4Si2 H Closo-1,2-Bis(trimethylsilyl)-1,2-dicarbahexaborane(6) H

3C B 

H
H3CSi B
H3C
H3C

B 
Si 


H
H3C

B
CH3


H 861 C8H22B4Si2 H Closo-1,6-Bis(trimethylsilyl)-1,6-dicarbahexaborane(6) 
CH3
B 

CH3
Si
HB



CH3
H3C


B
Si H
H3C

B
CH3

H 

862 C8H24O2Si3 CH3 H3C 


CH3 CH3 Octamethyltrisiloxane H3C 

CH3
Si



Si 

Si
H3C

O O 

CH3 863 C8H24Si4 H3C CH3 Octamethylcyclotetrasilane 
H3C CH3 





No. Hill Formula Structure Formula Name 
864 C9 C=C=C=C=C=C=C=C=C 1,2,3,4,5,6,7,8-Nonaoctaene-1,9-diylidene 
Element System C -H - with less than 10 Hydrogen Atoms 
No. Hill Formula Structure Formula Name 
865 C9HN HC=CC=CC=CC=CC=N 1-Cyano-1,3,5,7-octatetrayne 866 C9H2 H 

2-(1,3,5-Hexatriynyl)-2-cyclopropen-1-ylidene CCCCCCH 
C: 867 C9H5O4V 



Cyclopentadienyltetracarbonylvanadium 



V 

C 

C
O 
CC


O 
O

O 868 C9H7MnO3 


Methylcyclopentadienyl(tricarbonyl)manganese 

Mn 
C 

C
O

C


O 
O 869 C9H8O 



2-Indanone O 





Element System C -H - with 10 or more Hydrogen Atoms 
No. Hill Formula Structure Formula Name 

870 C9H10 Cyclopropylbenzene 
871 C9H10FeO3 Tricarbonyl(trans,trans-2,4-hexadiene)iron 

CH3 Fe 

872 C9H10O2 O 2-Methylbenzoic acid methyl ester 

CH3
O CH3 873 C9H12 H2C 



CH2 3,3-Diethenyl-1,4-pentadiene H2C 
CH2 874 C9H12 

CH3 Propylbenzene 875 C9H13N 




CH3 Amphetamine NH2 876 C9H14Si 


CH3 Trimethylphenylsilane Si 
CH3 CH3 
877 C9H15N 

N,N-Dicyclopropylcyclopropanamine N 
878 C9H20 
3,3-Diethylpentane 
CH3


Molecules containing 10 Carbon Atoms Element System C -F - 
No. Hill Formula Structure Formula Name 
879 C10F16 F Hexadecafluorotricyclo[3.3.1.13,7]decane F 

FF 
Element System C -H - with less than 10 Hydrogen Atoms 
No. Hill Formula Structure Formula Name 
880 C10H2N4 N 

N 1,2,4,5-Benzenetetracarbonitrile
C 


C 


C 


C 
N 


N 
881 C10H6 


1,4-Diethynylbenzene
HCC 
CCH 
882 C10H8N2 


N 2,4'-Dipyridyl 
N 




No.  Hill Formula  Structure Formula  Name  
883  C10H8O  OH  1-Hydroxynaphthalene  
884  C10H9BrFe  Br  Bromoferrocene  
Fe  
885  C10H9ClFe  Cl  Chloroferrocene  
Fe  

Element System C -H - with 10 or more Hydrogen Atoms 
No. Hill Formula Structure Formula Name 
886 C10H12O O p-Propylbenzaldehyde 

H 
H3C 887 C10H14 CH3 Butylbenzene 
888 C10H14N2 

3-(1-Methyl-2-pyrrolidinyl)pyridine 

N CH3 
N 889 C10H15F F 1-Fluoroadamantane 

890 C10H18 
1,1'-Bicyclopentyl 

891 C10H18Si2 H3C 


CH3 1,3-Butadiyne-1,4-diylbis(trimethylsilane) H3C

SiC C C CSi 

CH3 H3C CH3 
892 C10H19ClNOP 

3,5-Di-t-butyl-2-chloro-2,3-dihydro-[1,3,2]oxazaphosphole 

CH3
H3C 
H3C CH3 

893 C10H19FNOP F 3,5-Bis(1,1-dimethylethyl)-2-fluoro-2,3-dihydro-1,3,2oxazaphosphole CH3 

CH3
H3C CH3




894 C10H27GaSi3 GaC(Si(CH3)3)3 [Tris(trimethylsilyl)methyl]gallium 
895 C10H30Si4 H3

C CH

3 CH3 Decamethyltetrasilane CH3 H3C 

Si Si Si 
Si 
CH3 H3C CH3 H3C CH3 
896 C10H30Si5 H3CCH


3 Decamethylcyclopentasilane 
H3C 
Si CH3
H3C Si Si CH3
H3C Si Si CH3
H3C CH3

Molecules containing 11 Carbon Atoms 
No. Hill Formula Structure Formula Name 
897 C11HN HC=CC=CC=CC=CC=CC=N 
898 C11H8FeO3 

O C Fe CO C O 


899 C11H20O 

CH3
H3C 
O H3C 
H H3C 
CH3CH3 

900 C11H20O2 

O OH 
CH3H3C CH3H3C CH3 CH3 
901 C11H23MoN3 




CH3
H3C 


Mo 
N
N H3C 

CH3 



N 

CH3
H3C 

902 C1 

H27NO3Si2Sn H3C 


CH3O 
Si H3C 

N 

Sn


O O Si CH3 H3C 





1-Cyano-1,3,5,7,9-decapentayne Tricarbonyl[(1,2,3,4-.)-1,3,5,7-cyclooctatetraene]iron 
3-(1,1-Dimethylethyl)-4,4-dimethyl-2-pentenal 
(4Z)-5-Hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one 
(.5-2,4-Cyclopentadien-1-yl)tris(N-methylmethanaminato)molybdenum 
2,2,4,4,10-Pentamethyl-3,7,13-trioxa-10-aza-2,4-disila-6stannaspiro[5.7]tridecane 
No. Hill Formula Structure Formula Name 
903 C12H10N2 


1-(2-Pyridyl)-2-(4-pyridyl)ethene 
N 


904 C12H10N2 N 

N 







905 C12H10N2O O 
N N 



O906 C12H10O 


PH907 C12H11P 



OH . 



909 C12H22 

CH3H3C 908 C12H12O2 
CH3 
OH 
Trans-Azobenzene 
(Z)-Diphenyldiazene 1-oxide 
1,1'-Oxybisbenzene 
Diphenylphosphine 
Phenol dimer 

4-(1,1-Dimethylethyl)-5,5-dimethyl-1,3-hexadiene 
1,4-Phenylenebis(trimethylsilane) 

N,N',N''-Tris(1,1-dimethylethyl)sulfur triimide 
Tetrakis(1-methylethyl)tetraphosphetane 
CH3H2C 
CH3CH3 



CH3 H3C 

Si 
910 C12H22Si2 H3C 
Si 
CH3 
CH3
H3C 

911 C12H27N3S 

CH3CH3 

CH3 N 
CH3H3C 


S H3C 
N 


N 

CH3H3C CH3 
912 C12H28P4 CH3 H3C 


CH3H3C 
PP 

PP 

CH3 
CH3 H3C 
H3C 





913 C12H30Si2 H3C 1,1,2-Tris(1,1-dimethylethyl)disilane 
CH3 

H2Si SiH 

CH3
H3C 

H
3C CH3 H3C CH3 
914 C12H36N2Si4 H3C 


CH3 H3C 


CH3 Tetrakis(trimethylsilyl)hydrazine H3C Si 


Si CH3 NN H3C 

Si 




Si 

CH3 H3C CH3 H3CCH3 
Molecules containing 13 Carbon Atoms 
No. Hill Formula Structure Formula Name 
915 C13H10Ar 


9H-Fluorene  argon (1/1)  
. Ar 916 C13H10Ar2 9H-Fluorene  argon (1/2) 
. 2Ar 917 C13H10O O Benzophenone 

918 C13H10O2 
Benzoic acid phenyl ester 


919 C13H13CuF6O2 F F [(1,2-.)-1,5-Cyclooctadiene](1,1,1,5,5,5-hexafluoro-2,4F pentanedionato-.O,.O')copper 
F FF 

920 C13H16Fe CH3 (1-Methylethyl)ferrocene 



921 C13H22Si2 CH3 CH3 (Cyclopropylidenedi-2,1-ethynediyl)bis-(trimethylsilane) 

CH3
H3C 


Si 

Si 

C C CH3



H3C 
C 
C 


922 C13H36Sn4 H3C 

CH3 CH

3CH3 Tetrakis(trimethylstannyl)methane H3C 

Sn Sn CH3 
H3C Sn Sn 
CH3
CH3

H3C CH3 CH3 

Molecules containing 14 Carbon Atoms 
No. Hill Formula Structure Formula	Name 

923 C14H14 
1,1'-(1,2-Ethanediyl)bisbenzene 

924 C14H14N2O3	CH3 (Z)-Bis(4-methoxyphenyl)diazene 1-oxide 
925 C14H38AsSi4 H3C 


CH3 H3CCH


3 Bis[bis(trimethylsilyl)methyl]arsino 
H3C Si 

Si CH3
As

H3C 
Si 

Si 
CH3
H3C CH3 H3CCH3

926 C14H38PSi4 H3C 


CH3 H3CCH


3 Bis[bis(trimethylsilyl)methyl]phosphino 
H3C Si 

Si CH3
P

H3C 
Si 

Si 
CH3
H3C CH3 H3CCH3

Molecules containing 15 Carbon Atoms 
No. Hill Formula Structure Formula	Name 
927 C15H3F18GaO6 F3C	

Tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato.O,.O')gallium 
F3
C
O CF3

O 



O 
Ga 
O 



O 
O CF3
F3C
F3C


928 C15H3F18InO6 F3C	

Tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato.O,.O')indium 
F3
C
O CF3

O 



O 

In 
O 


O 
O CF3
F3C
F3C


929 C15H15F5Ru 

F F 1,2,3,4,5-Pentafluoro-1',2',3',4',5'-pentamethylruthenocene F F 
Ru F CH3H3C 


CH3H3C CH3 
930 C15H21O6Sc H3C 

Tris(2,4-pentanedionato-.O,.O')scandium H3

C O CH3
O 



O 
Sc

O

O 
O CH3
H3C

H3C 

931 C15H30Sn3 CH3 1,3,5-Benzenetriyltris[trimethylstannane] H3C 

CH3

Sn 







CH3
Sn 
Sn 
H3C 
H3C 


CH3CH3 CH3 
Molecules containing 16 Carbon Atoms 
No. Hill Formula Structure Formula Name 
932 C16H33N3Ti H3

C CH3 H3C 
CH3 
CH3 
CH3H3C TiN 


N 

CH3H3C 


N 

CH3H3C 
933 C16H33N3Zr H3

C CH3 H3C 
CH3 
CH3 
CH3H3C N Zr 
N 


CH3H3C 


N 

CH3H3C 



B H3C 

934 C16H36B4 

CH3 H3C 
CH3 
H3C B CH3 
CH3 

B B 
CH3 
CH3
CH3 CH3 
H3C 

Tris(N-methylmethanaminato)[(1,2,3,4,5-.)-1,2,3,4,5pentamethyl-2,4-cyclopentadien-1-yl]titanium 
Tris(N-methylmethanaminato)[(1,2,3,4,5-.)-1,2,3,4,5pentamethyl-2,4-cyclopentadien-1-yl]zirconium 
Tetrakis(1,1-dimethylethyl)tetraborane(4) 
No. Hill Formula Structure Formula Name 
935 C18H12Ar 
Naphthacene  argon (1/1) 
. Ar 

936 C18H12Kr 


Naphthacene  krypton (1/1) 
. Kr 
937 C18H15P 


Triphenylphosphine 


938 C18H21NO CH3 4-Butyl-N-[(4-methoxyphenyl)methylene]benzenamine 

H3C 

939 C18H24 

CH3 (All-E)-Hexaethylidenecyclohexane 
CH3 
CH3
H3C

CH3H3C 

940 C18H26Fe CH3 1,1'-Bis(1,1-dimethylethyl)ferrocene CH3 
H3C
H3C




Molecules containing 20 to 30 Carbon Atoms 
No. Hill Formula Structure Formula Name 
941 C20H10 
Dibenzo[ghi,mno]fluoranthene 


942 C20H28HfO8 

H3C CH3 Tetrakis(acetylacetonato)hafnium(IV) H3C CH3OO O 

O 
O O 
OO
H3C



CH3
H3C

CH3 

943 C20H28O8Zr 

H3C CH3 
H3C CH3OO 
O 


O 
O O 
OO
H3C CH3
H3C CH3


944 C22H38BaO4 H3

C CH3 H3CCH

3 
CH3 

OO
Ba

OO

H3C 


CH3 H3C CH3 H3CCH3 
H3C 

945 C22H38CaO4 H3

C CH3 H3CCH

3 
CH3 

OO
Ca

OO

H3C 


CH3 H3C CH3 H3CCH3 
H3C 

946 C22H38O4Sr H3

C CH3 H3CCH

3 H3C 
CH3 

OO

Sr
OO




H3C 
CH3 H3C CH3 H3CCH3 

947 C22H38O4Y H3

C CH3 H3CCH

3 H3C 
CH3 
OO
Y
OO





CH3 H3C CH3 H3CCH3 
H3C 
948 C24H20Si 



Si 


Tetrakis(acetylacetonato)zirconium(IV) 
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato-.O,.O')barium 
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato-.O,.O')calcium 
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato-.O,.O')strontium 
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato-O,O')yttrium 
Tetraphenylsilane 


No. Hill Formula Structure Formula Name 
949 C32H16CuN8 
Phthalocyaninatocopper(II) 

950 C32H16MgN8 

[29H,31H-Phthalocyaninato-.N29,.N30,.N31,.N32]-magnesium 

951 C32H16N8Ni 
Phthalocyaninatonickel(II) 

952 C32H16N8Sn 

[29H,31H-Phthalocyaninato-.N29,.N30,.N31,.N32]tin 


953 C32H16N8Zn 



[29H,31H-Phthalocyaninato-.N29,.N30,.N31,.N32]zinc 
N
N 


N
Zn
N N 


N 


N 










CH3CH3 Tris(2,2,6,6-tetramethyl-3,5-heptanedionato-.O,.O')gallium 
H3C
CH3
CH3



CH3 
CH3
O
O



O
Ga

O


O O 
CH3 CH3 

CH3
CH3
H3C

H3C CH3 



CH3CH3 Tris(2,2,6,6-tetramethyl-3,5-heptanedionato-.O,.O')lanthanum 
H3C
CH3
CH3



CH3 
CH3
O
O



O
La

O




O O 
CH3CH3 
CH3
CH3
H3C

H3C CH3 



CH3 Tris(2,2,6,6-tetramethyl-3,5-heptanedionato
H3C 
CH3CH3 .O,.O')scandium(III) 
CH3



CH3 
CH3
O
O

O 



Sc
O


O O 
CH3 CH3 

CH3
CH3
H3C

H3C CH3 




954 C33H57GaO6 
H3C H3C 

H3C H3C 

955 C33H57LaO6 
H3C H3C 

H3C H3C 

956 C33H57O6Sc 
H3C H3C 

H3C
H3C



957 C70 C70 [5,6]Fullerene-C70-D5h 

