Product OPENEYE NAME: (9S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (9S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (9S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (9S,14S,17S)-13,17-diethyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: CC[C@@]1(CC[C@@H]2C1(CC[C@H]3C2CCC4=CC(=O)CCC34)CC)O
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Product OPENEYE NAME: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34
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Product OPENEYE NAME: 3-dodecyl-3-methyl-3-azoniaspiro[4.5]decane iodide
CAS Name: 3-dodecyl-3-methyl-3-azoniaspiro[4.5]decane iodide
IUPAC NAME: 3-dodecyl-3-methyl-3-azoniaspiro[4.5]decane iodide
SYSTEMATIC NAME: 3-dodecyl-3-methyl-3-azoniaspiro[4.5]decane iodide
MOLECULAR FORMULA: C22H44IN
MOLECULAR WEIGHT: 449.49593
SMILES: CCCCCCCCCCCC[N+]1(CCC2(C1)CCCCC2)C.[I-]
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Product OPENEYE NAME: 3-dodecyl-3-methyl-3-azoniaspiro[4.5]decane
CAS Name: 3-dodecyl-3-methyl-3-azoniaspiro[4.5]decane
IUPAC NAME: 3-dodecyl-3-methyl-3-azoniaspiro[4.5]decane
SYSTEMATIC NAME: 3-dodecyl-3-methyl-3-azoniaspiro[4.5]decane
MOLECULAR FORMULA: C22H44N+
MOLECULAR WEIGHT: 322.59146
SMILES: CCCCCCCCCCCC[N+]1(CCC2(C1)CCCCC2)C
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Product OPENEYE NAME: methyl bis(4-nitrophenyl) phosphate
CAS Name: phosphoric acid methyl bis(4-nitrophenyl) ester
IUPAC NAME: methyl bis(4-nitrophenyl) phosphate
SYSTEMATIC NAME: methyl bis(4-nitrophenyl) phosphate
MOLECULAR FORMULA: C13H11N2O8P
MOLECULAR WEIGHT: 354.208801
SMILES: COP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(2-chlorophenothiazin-10-yl)-3-(diethylamino)propan-1-one
CAS Name: 1-(2-chloro-10-phenothiazinyl)-3-(diethylamino)-1-propanone
IUPAC NAME: 1-(2-chlorophenothiazin-10-yl)-3-(diethylamino)propan-1-one
SYSTEMATIC NAME: 1-(2-chloranylphenothiazin-10-yl)-3-(diethylamino)propan-1-one
MOLECULAR FORMULA: C19H21ClN2OS
MOLECULAR WEIGHT: 360.90084
SMILES: CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20N4O5
MOLECULAR WEIGHT: 348.3538
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C)N
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Product OPENEYE NAME: 1-(1-bromo-2,2-diphenyl-vinyl)-3-(trifluoromethyl)benzene
CAS Name: 1-(1-bromo-2,2-diphenylethenyl)-3-(trifluoromethyl)benzene
IUPAC NAME: 1-(1-bromo-2,2-diphenylethenyl)-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-(1-bromanyl-2,2-diphenyl-ethenyl)-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C21H14BrF3
MOLECULAR WEIGHT: 403.23507
SMILES: C1=CC=C(C=C1)C(=C(C2=CC(=CC=C2)C(F)(F)F)Br)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[[3-(5-nitro-2-furyl)-1-[2-(5-nitro-2-furyl)vinyl]prop-2-enylidene]amino]guanidine
CAS Name: 2-[1,5-bis(5-nitro-2-furanyl)penta-1,4-dien-3-ylideneamino]guanidine
IUPAC NAME: 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine
SYSTEMATIC NAME: 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine
MOLECULAR FORMULA: C14H12N6O6
MOLECULAR WEIGHT: 360.28168
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-]
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Product OPENEYE NAME: (R)-(6-methoxy-4-quinolyl)-[(2S,5R)-5-vinylquinuclidin-2-yl]methanol; sulfuric acid
CAS Name: (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol; sulfuric acid
IUPAC NAME: (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid
SYSTEMATIC NAME: (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid
MOLECULAR FORMULA: C40H50N4O8S
MOLECULAR WEIGHT: 746.912
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O
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Product OPENEYE NAME: (6-methoxy-4-quinolyl)-[(2S)-5-vinylquinuclidin-2-yl]methanol
CAS Name: [(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol
IUPAC NAME: [(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
SYSTEMATIC NAME: [(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: COC1=CC2=C(C=CN=C2C=C1)C([C@@H]3CC4CCN3CC4C=C)O
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Product OPENEYE NAME: methyl-[methyl(diphenyl)silyl]oxy-diphenyl-silane
CAS Name: methyl-[methyl(diphenyl)silyl]oxy-diphenylsilane
IUPAC NAME: methyl-[methyl(diphenyl)silyl]oxy-diphenylsilane
SYSTEMATIC NAME: methyl-[methyl(diphenyl)silyl]oxy-diphenyl-silane
MOLECULAR FORMULA: C26H26OSi2
MOLECULAR WEIGHT: 410.65504
SMILES: C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[Si](C)(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N-[[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-phenyl-4-piperidyl]methyl]acetamide
CAS Name: N-[[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-4-piperidinyl]methyl]acetamide
IUPAC NAME: N-[[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenylpiperidin-4-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-phenyl-piperidin-4-yl]methyl]ethanamide
MOLECULAR FORMULA: C24H29FN2O2
MOLECULAR WEIGHT: 396.497663
SMILES: CC(=O)NCC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
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Product OPENEYE NAME: dimethyl-[2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethyl]ammonium; 2-hydroxy-2-oxo-acetate
CAS Name: dimethyl-[2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethyl]ammonium; 2-hydroxy-2-oxoacetate
IUPAC NAME: dimethyl-[2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethyl]azanium; 2-hydroxy-2-oxoacetate
SYSTEMATIC NAME: dimethyl-[2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C22H26F3NO6
MOLECULAR WEIGHT: 457.44015
SMILES: C[NH+](C)CCOCCOC(C1=CC=CC=C1)C2=CC=CC=C2C(F)(F)F.C(=O)(C(=O)[O-])O
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Product OPENEYE NAME: N,N-dimethyl-2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethanamine
CAS Name: N,N-dimethyl-2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethanamine
IUPAC NAME: N,N-dimethyl-2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethanamine
MOLECULAR FORMULA: C20H24F3NO2
MOLECULAR WEIGHT: 367.40527
SMILES: CN(C)CCOCCOC(C1=CC=CC=C1)C2=CC=CC=C2C(F)(F)F
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Product OPENEYE NAME: [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H36O5
MOLECULAR WEIGHT: 416.55034
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C
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Product OPENEYE NAME: [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [2-(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C26H38O4
MOLECULAR WEIGHT: 414.57752
SMILES: CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C
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Product OPENEYE NAME: magnesium dimethylarsinate
CAS Name: magnesium dimethylarsinate
IUPAC NAME: magnesium dimethylarsinate
SYSTEMATIC NAME: magnesium dimethylarsinate
MOLECULAR FORMULA: C4H12As2MgO4
MOLECULAR WEIGHT: 298.28388
SMILES: C[As](=O)(C)[O-].C[As](=O)(C)[O-].[Mg+2]
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Product OPENEYE NAME: 2-methylpropane-1,2-diamine
CAS Name: 2-methylpropane-1,2-diamine
IUPAC NAME: 2-methylpropane-1,2-diamine
SYSTEMATIC NAME: 2-methylpropane-1,2-diamine
MOLECULAR FORMULA: C4H12N2
MOLECULAR WEIGHT: 88.15148
SMILES: CC(C)(CN)N
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Product OPENEYE NAME: 1,1,1,2-tetrafluoroethane
CAS Name: 1,1,1,2-tetrafluoroethane
IUPAC NAME: 1,1,1,2-tetrafluoroethane
SYSTEMATIC NAME: 1,1,1,2-tetrakis(fluoranyl)ethane
MOLECULAR FORMULA: C2H2F4
MOLECULAR WEIGHT: 102.030893
SMILES: C(C(F)(F)F)F
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