CAS RN: 503-93-5
CAS Name: 2,6,6-trimethyl-1-cyclohepta-2,4-dienone
OPENEYE Name: 2,6,6-trimethylcyclohepta-2,4-dien-1-one
IUPAC Name: 2,6,6-trimethylcyclohepta-2,4-dien-1-one
SYSTEMATIC NAME: 2,6,6-trimethylcyclohepta-2,4-dien-1-one
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC1=CC=CC(CC1=O)(C)C
Structure:
CAS RN: 503-27-5
CAS Name: N-(methyleneamino)methanimine
OPENEYE Name: N-(methyleneamino)methanimine
IUPAC Name: N-(methylideneamino)methanimine
SYSTEMATIC NAME: N-(methylideneamino)methanimine
MOLECULAR FORMULA: C2H4N2
MOLECULAR WEIGHT: 56.06656
SMILES: C=NN=C
Structure:
CAS RN: 27890-67-1
CAS Name: 4-methylene-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-methylenecyclohexa-2,5-dien-1-one
IUPAC Name: 4-methylidenecyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-methylidenecyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C7H6O
MOLECULAR WEIGHT: 106.12194
SMILES: C=C1C=CC(=O)C=C1
Structure:
CAS RN: 502-87-4
CAS Name: 4-methylene-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-methylenecyclohexa-2,5-dien-1-one
IUPAC Name: 4-methylidenecyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-methylidenecyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C7H6O
MOLECULAR WEIGHT: 106.12194
SMILES: C=C1C=CC(=O)C=C1
Structure:
CAS RN: 502-86-3
CAS Name: 3,6-dimethylenecyclohexa-1,4-diene
OPENEYE Name: 3,6-dimethylenecyclohexa-1,4-diene
IUPAC Name: 3,6-dimethylidenecyclohexa-1,4-diene
SYSTEMATIC NAME: 3,6-dimethylidenecyclohexa-1,4-diene
MOLECULAR FORMULA: C8H8
MOLECULAR WEIGHT: 104.14912
SMILES: C=C1C=CC(=C)C=C1
Structure:
CAS RN: 500-24-3
CAS Name: bicyclo[2.2.2]octa-2,5,7-triene
OPENEYE Name: bicyclo[2.2.2]octa-2,5,7-triene
IUPAC Name: bicyclo[2.2.2]octa-2,5,7-triene
SYSTEMATIC NAME: bicyclo[2.2.2]octa-2,5,7-triene
MOLECULAR FORMULA: C8H8
MOLECULAR WEIGHT: 104.14912
SMILES: C1=CC2C=CC1C=C2
Structure:
CAS RN: 500-23-2
CAS Name: bicyclo[2.2.2]octa-2,5-diene
OPENEYE Name: bicyclo[2.2.2]octa-2,5-diene
IUPAC Name: bicyclo[2.2.2]octa-2,5-diene
SYSTEMATIC NAME: bicyclo[2.2.2]octa-2,5-diene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C1CC2C=CC1C=C2
Structure:
CAS RN: 497-35-8
CAS Name: 3-methylenebicyclo[2.2.1]heptane
OPENEYE Name: 2-methylenenorbornane
IUPAC Name: 3-methylidenebicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-methylidenebicyclo[2.2.1]heptane
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C=C1CC2CCC1C2
Structure:
CAS RN: 497-20-1
CAS Name: fulvene
OPENEYE Name: fulvene
IUPAC Name: fulvene
SYSTEMATIC NAME: 5-methylidenecyclopenta-1,3-diene
MOLECULAR FORMULA: C6H6
MOLECULAR WEIGHT: 78.11184
SMILES: C=C1C=CC=C1
Structure:
CAS RN: 495-71-6
CAS Name: 1,4-diphenylbutane-1,4-dione
OPENEYE Name: 1,4-diphenylbutane-1,4-dione
IUPAC Name: 1,4-diphenylbutane-1,4-dione
SYSTEMATIC NAME: 1,4-diphenylbutane-1,4-dione
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=CC=C2
Structure:
CAS RN: 495-52-3
CAS Name: 1,2,3,5,6,7-hexahydro-s-indacene
OPENEYE Name: 1,2,3,5,6,7-hexahydro-s-indacene
IUPAC Name: 1,2,3,5,6,7-hexahydro-s-indacene
SYSTEMATIC NAME: 1,2,3,5,6,7-hexahydro-s-indacene
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C1CC2=CC3=C(CCC3)C=C2C1
Structure:
CAS RN: 493-74-3
CAS Name: 4-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2,6-dimethoxy-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2,6-dimethoxy-cyclohexa-2,5-dien-1-one
IUPAC Name: 4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2,6-dimethoxy-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H16O6
MOLECULAR WEIGHT: 304.29464
SMILES: COC1=CC(=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC
Structure:
CAS RN: 493-08-3
CAS Name: 3,4-dihydro-2H-1-benzopyran
OPENEYE Name: chromane
IUPAC Name: 3,4-dihydro-2H-chromene
SYSTEMATIC NAME: 3,4-dihydro-2H-chromene
MOLECULAR FORMULA: C9H10O
MOLECULAR WEIGHT: 134.1751
SMILES: C1CC2=CC=CC=C2OC1
Structure:
CAS RN: 8073-37-8
CAS Name: 3,4-dihydro-2H-1-benzopyran
OPENEYE Name: chromane
IUPAC Name: 3,4-dihydro-2H-chromene
SYSTEMATIC NAME: 3,4-dihydro-2H-chromene
MOLECULAR FORMULA: C9H10O
MOLECULAR WEIGHT: 134.1751
SMILES: C1CC2=CC=CC=C2OC1
Structure:
CAS RN: 491-25-8
CAS Name: 9-methyl-9-azabicyclo[3.3.1]nonane
OPENEYE Name: 9-methyl-9-azabicyclo[3.3.1]nonane
IUPAC Name: 9-methyl-9-azabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 9-methyl-9-azabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: CN1C2CCCC1CCC2
Structure:
CAS RN: 480-72-8
CAS Name: 1,2,3,3a,4,5-hexahydroacenaphthylene
OPENEYE Name: 1,2,3,3a,4,5-hexahydroacenaphthylene
IUPAC Name: 1,2,3,3a,4,5-hexahydroacenaphthylene
SYSTEMATIC NAME: 1,2,3,3a,4,5-hexahydroacenaphthylene
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C1CC2CCC3=CC=CC(=C23)C1
Structure:
CAS RN: 473-91-6
CAS Name: 1,2,3-trimethylcyclopentene
OPENEYE Name: 1,2,3-trimethylcyclopentene
IUPAC Name: 1,2,3-trimethylcyclopentene
SYSTEMATIC NAME: 1,2,3-trimethylcyclopentene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CC1CCC(=C1C)C
Structure:
CAS RN: 473-27-8
CAS Name: 4-(trifluoromethylsulfonyl)aniline
OPENEYE Name: 4-(trifluoromethylsulfonyl)aniline
IUPAC Name: 4-(trifluoromethylsulfonyl)aniline
SYSTEMATIC NAME: 4-(trifluoromethylsulfonyl)aniline
MOLECULAR FORMULA: C7H6F3NO2S
MOLECULAR WEIGHT: 225.18825
SMILES: C1=CC(=CC=C1N)S(=O)(=O)C(F)(F)F
Structure:
CAS RN: 464-36-8
CAS Name: 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)pentane
OPENEYE Name: 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)pentane
IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)pentane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,4,4,5,5-undecakis(fluoranyl)-5-[1,1,2,2,3,3,4,4,5,5,5-undecakis(fluoranyl)pentoxy]pentane
MOLECULAR FORMULA: C10F22O
MOLECULAR WEIGHT: 554.07127
SMILES: C(C(C(OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
Structure:
CAS RN: 461-96-1
CAS Name: 1-bromo-3,5-difluorobenzene
OPENEYE Name: 1-bromo-3,5-difluoro-benzene
IUPAC Name: 1-bromo-3,5-difluorobenzene
SYSTEMATIC NAME: 1-bromanyl-3,5-bis(fluoranyl)benzene
MOLECULAR FORMULA: C6H3BrF2
MOLECULAR WEIGHT: 192.988826
SMILES: C1=C(C=C(C=C1F)Br)F
Structure:
CAS RN: 461-68-7
CAS Name: 1,1,3,3-tetrafluoropropa-1,2-diene
OPENEYE Name: 1,1,3,3-tetrafluoroallene
IUPAC Name: 1,1,3,3-tetrafluoropropa-1,2-diene
SYSTEMATIC NAME: 1,1,3,3-tetrakis(fluoranyl)propa-1,2-diene
MOLECULAR FORMULA: C3F4
MOLECULAR WEIGHT: 112.025713
SMILES: C(=C(F)F)=C(F)F
Structure:
CAS RN: 461-60-9
CAS Name: difluoro(isothiocyanato)phosphine
OPENEYE Name: difluoro(isothiocyanato)phosphane
IUPAC Name: difluoro(isothiocyanato)phosphane
SYSTEMATIC NAME: bis(fluoranyl)-isothiocyanato-phosphane
MOLECULAR FORMULA: CF2NPS
MOLECULAR WEIGHT: 127.052967
SMILES: C(=NP(F)F)=S
Structure:
CAS RN: 461-59-6
CAS Name: difluoro(isocyanato)phosphine
OPENEYE Name: difluoro(isocyanato)phosphane
IUPAC Name: difluoro(isocyanato)phosphane
SYSTEMATIC NAME: bis(fluoranyl)-isocyanato-phosphane
MOLECULAR FORMULA: CF2NOP
MOLECULAR WEIGHT: 110.987367
SMILES: C(=NP(F)F)=O
Structure:
CAS RN: 461-18-7
CAS Name: 4,4,4-trifluoro-1-butanol
OPENEYE Name: 4,4,4-trifluorobutan-1-ol
IUPAC Name: 4,4,4-trifluorobutan-1-ol
SYSTEMATIC NAME: 4,4,4-tris(fluoranyl)butan-1-ol
MOLECULAR FORMULA: C4H7F3O
MOLECULAR WEIGHT: 128.09299
SMILES: C(CC(F)(F)F)CO
Structure:
CAS RN: 461-08-5
CAS Name: bis(trifluoromethylthio)methanethione
OPENEYE Name: bis(trifluoromethylsulfanyl)methanethione
IUPAC Name: bis(trifluoromethylsulfanyl)methanethione
SYSTEMATIC NAME: bis(trifluoromethylsulfanyl)methanethione
MOLECULAR FORMULA: C3F6S3
MOLECULAR WEIGHT: 246.217519
SMILES: C(=S)(SC(F)(F)F)SC(F)(F)F
Structure:
CAS RN: 460-96-8
CAS Name: bis(trifluoromethyl)phosphine
OPENEYE Name: bis(trifluoromethyl)phosphane
IUPAC Name: bis(trifluoromethyl)phosphane
SYSTEMATIC NAME: bis(trifluoromethyl)phosphane
MOLECULAR FORMULA: C2HF6P
MOLECULAR WEIGHT: 169.99352
SMILES: C(F)(F)(F)PC(F)(F)F
Structure:
CAS RN: 460-43-5
CAS Name: 1,1,1-trifluoro-2-methoxyethane
OPENEYE Name: 1,1,1-trifluoro-2-methoxy-ethane
IUPAC Name: 1,1,1-trifluoro-2-methoxyethane
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)-2-methoxy-ethane
MOLECULAR FORMULA: C3H5F3O
MOLECULAR WEIGHT: 114.06641
SMILES: COCC(F)(F)F
Structure:
CAS RN: 459-47-2
CAS Name: 1-ethyl-4-fluorobenzene
OPENEYE Name: 1-ethyl-4-fluoro-benzene
IUPAC Name: 1-ethyl-4-fluorobenzene
SYSTEMATIC NAME: 1-ethyl-4-fluoranyl-benzene
MOLECULAR FORMULA: C8H9F
MOLECULAR WEIGHT: 124.155463
SMILES: CCC1=CC=C(C=C1)F
Structure:
CAS RN: 459-31-4
CAS Name: 3-(4-fluorophenyl)propanoic acid
OPENEYE Name: 3-(4-fluorophenyl)propanoic acid
IUPAC Name: 3-(4-fluorophenyl)propanoic acid
SYSTEMATIC NAME: 3-(4-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C9H9FO2
MOLECULAR WEIGHT: 168.164963
SMILES: C1=CC(=CC=C1CCC(=O)O)F
Structure:
CAS RN: 458-03-7
CAS Name: 1-ethoxy-3-fluorobenzene
OPENEYE Name: 1-ethoxy-3-fluoro-benzene
IUPAC Name: 1-ethoxy-3-fluorobenzene
SYSTEMATIC NAME: 1-ethoxy-3-fluoranyl-benzene
MOLECULAR FORMULA: C8H9FO
MOLECULAR WEIGHT: 140.154863
SMILES: CCOC1=CC(=CC=C1)F
Structure:
CAS RN: 456-07-5
CAS Name: 4-fluoro-N-hydroxybenzamide
OPENEYE Name: 4-fluorobenzenecarbohydroxamic acid
IUPAC Name: 4-fluoro-N-hydroxybenzamide
SYSTEMATIC NAME: 4-fluoranyl-N-oxidanyl-benzamide
MOLECULAR FORMULA: C7H6FNO2
MOLECULAR WEIGHT: 155.126443
SMILES: C1=CC(=CC=C1C(=O)NO)F
Structure:
CAS RN: 455-34-5
CAS Name: 1-(dibromomethyl)-3-fluorobenzene
OPENEYE Name: 1-(dibromomethyl)-3-fluoro-benzene
IUPAC Name: 1-(dibromomethyl)-3-fluorobenzene
SYSTEMATIC NAME: 1-[bis(bromanyl)methyl]-3-fluoranyl-benzene
MOLECULAR FORMULA: C7H5Br2F
MOLECULAR WEIGHT: 267.921003
SMILES: C1=CC(=CC(=C1)F)C(Br)Br
Structure:
CAS RN: 455-17-4
CAS Name: (4-fluorophenyl)-trimethylsilane
OPENEYE Name: (4-fluorophenyl)-trimethyl-silane
IUPAC Name: (4-fluorophenyl)-trimethylsilane
SYSTEMATIC NAME: (4-fluorophenyl)-trimethyl-silane
MOLECULAR FORMULA: C9H13FSi
MOLECULAR WEIGHT: 168.283423
SMILES: C[Si](C)(C)C1=CC=C(C=C1)F
Structure:
CAS RN: 1156-92-9
CAS Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@H](CC[C@]34C)O
Structure:
CAS RN: 454-91-1
CAS Name: 1-[3-(trifluoromethyl)phenyl]ethanol
OPENEYE Name: 1-[3-(trifluoromethyl)phenyl]ethanol
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]ethanol
SYSTEMATIC NAME: 1-[3-(trifluoromethyl)phenyl]ethanol
MOLECULAR FORMULA: C9H9F3O
MOLECULAR WEIGHT: 190.16237
SMILES: CC(C1=CC(=CC=C1)C(F)(F)F)O
Structure:
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