Product OPENEYE NAME: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CAS Name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17R)-9-fluoranyl-2,10,13-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H31FO5
MOLECULAR WEIGHT: 394.476943
SMILES: CC1C[C@]2(C(=CC1=O)CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F)C
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Product OPENEYE NAME: (9R,16R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
CAS Name: (9R,16R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (9R,16R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (9R,16R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H29FO4
MOLECULAR WEIGHT: 376.461663
SMILES: C[C@@H]1CC2C3CCC4=CC(=O)C=CC4([C@]3(C(CC2(C1C(=O)CO)C)O)F)C
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Product OPENEYE NAME: ethyl 2,2,2-trifluoroacetate
CAS Name: 2,2,2-trifluoroacetic acid ethyl ester
IUPAC NAME: ethyl 2,2,2-trifluoroacetate
SYSTEMATIC NAME: ethyl 2,2,2-tris(fluoranyl)ethanoate
MOLECULAR FORMULA: C4H5F3O2
MOLECULAR WEIGHT: 142.07651
SMILES: CCOC(=O)C(F)(F)F
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Product OPENEYE NAME: 1-nitro-2-(trifluoromethyl)benzene
CAS Name: 1-nitro-2-(trifluoromethyl)benzene
IUPAC NAME: 1-nitro-2-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-nitro-2-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H4F3NO2
MOLECULAR WEIGHT: 191.10737
SMILES: C1=CC=C(C(=C1)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 2,6-difluorobenzoic acid
CAS Name: 2,6-difluorobenzoic acid
IUPAC NAME: 2,6-difluorobenzoic acid
SYSTEMATIC NAME: 2,6-bis(fluoranyl)benzoic acid
MOLECULAR FORMULA: C7H4F2O2
MOLECULAR WEIGHT: 158.102266
SMILES: C1=CC(=C(C(=C1)F)C(=O)O)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H16
MOLECULAR WEIGHT: 376.44804
SMILES: C1=CC2=C3C(=C1)C4=C(C5=CC=CC(=C53)C=C2)C6=CC=CC7=C6C8=C(C=CC=C84)C=C7
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H16
MOLECULAR WEIGHT: 352.42664
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC6=C5C7=C(C=CC=C74)C=C6
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Product OPENEYE NAME: (6S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (6S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,16R,17R)-6-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H31FO5
MOLECULAR WEIGHT: 394.476943
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)CCC4(C3C(CC2([C@]1(C(=O)CO)O)C)O)C)F
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Product OPENEYE NAME: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
CAS Name: 3,4,5-trimethoxybenzoic acid 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethyl ester
IUPAC NAME: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C31H36ClN3O5S
MOLECULAR WEIGHT: 598.15264
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
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