Product OPENEYE NAME: [17-acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CAS Name: acetic acid [17-acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [17-acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [17-ethanoyl-10,13-dimethyl-3-oxidanylidene-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H31F3O4
MOLECULAR WEIGHT: 440.49575
SMILES: CC(=O)C1(CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)C(F)(F)F)C)OC(=O)C
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Product OPENEYE NAME: [2-[(9R,11S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-[(9R,11S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[(9R,11S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(9R,11S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C24H31FO6
MOLECULAR WEIGHT: 434.497743
SMILES: C[C@H]1C[C@H]2C3CCC4=CC(=O)C=CC4([C@]3([C@H](CC2([C@]1(C(=O)COC(=O)C)O)C)O)F)C
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Product OPENEYE NAME: disodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-oxido-phosphoryl] hydrogen phosphate
CAS Name: disodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
IUPAC NAME: disodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
SYSTEMATIC NAME: disodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanidyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C10H14N5Na2O13P3
MOLECULAR WEIGHT: 551.144683
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]
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Product OPENEYE NAME: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-(trimethylammonio)ethyl phosphate
CAS Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] 2-(trimethylammonio)ethyl phosphate
IUPAC NAME: [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C14H26N4O11P2
MOLECULAR WEIGHT: 488.323962
SMILES: C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
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Product OPENEYE NAME: 2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
CAS Name: 2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium
IUPAC NAME: 2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
SYSTEMATIC NAME: 2-[[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
MOLECULAR FORMULA: C14H27N4O11P2+
MOLECULAR WEIGHT: 489.331902
SMILES: C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
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Product OPENEYE NAME: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride
CAS Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]-ethylammonium chloride
IUPAC NAME: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium chloride
SYSTEMATIC NAME: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium chloride
MOLECULAR FORMULA: C28H31ClN2O3
MOLECULAR WEIGHT: 479.01034
SMILES: CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.[Cl-]
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Product OPENEYE NAME: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate
CAS Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate
SYSTEMATIC NAME: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate
MOLECULAR FORMULA: C28H30N2O3
MOLECULAR WEIGHT: 442.5494
SMILES: CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C
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Product OPENEYE NAME: 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
CAS Name: 4-[[2,4-dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone
IUPAC NAME: 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 2-butanoyl-4-[[5-butanoyl-2-methoxy-3-methyl-4,6-bis(oxidanyl)phenyl]methyl]-6,6-dimethyl-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)OC)C)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32FO9P
MOLECULAR WEIGHT: 514.477644
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COP(=O)(O)O)CCC5=CC(=O)C=C[C@@]53C)F)O
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Product OPENEYE NAME: citric acid; N-phenyl-N-[1-(2-phenylethyl)-4-piperidyl]propanamide
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide
IUPAC NAME: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: 2-oxidanylpropane-1,2,3-tricarboxylic acid; N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C28H36N2O8
MOLECULAR WEIGHT: 528.59404
SMILES: CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
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Product OPENEYE NAME: 2-amino-6-[2-(4-amino-4-carboxy-butyl)-3,5-bis(3-amino-3-carboxy-propyl)pyridin-1-ium-1-yl]hexanoic acid
CAS Name: 2-amino-6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)-1-pyridin-1-iumyl]hexanoic acid
IUPAC NAME: 2-amino-6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid
SYSTEMATIC NAME: 2-azanyl-6-[3,5-bis(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-2-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)pyridin-1-ium-1-yl]hexanoic acid
MOLECULAR FORMULA: C24H40N5O8+
MOLECULAR WEIGHT: 526.6031
SMILES: C1=C(C=[N+](C(=C1CCC(C(=O)O)N)CCCC(C(=O)O)N)CCCCC(C(=O)O)N)CCC(C(=O)O)N
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Product OPENEYE NAME: [1-methyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-ium-1-yl]ethyl] 3,4,5-trimethoxybenzoate chloride
CAS Name: 3,4,5-trimethoxybenzoic acid 1-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-1-iumyl]propan-2-yl ester chloride
IUPAC NAME: 1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-ium-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate chloride
SYSTEMATIC NAME: 1-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate chloride
MOLECULAR FORMULA: C27H37ClN2O9
MOLECULAR WEIGHT: 569.04368
SMILES: CC(C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-]
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Product OPENEYE NAME: [1-methyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl] 3,4,5-trimethoxybenzoate
CAS Name: 3,4,5-trimethoxybenzoic acid 1-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]propan-2-yl ester
IUPAC NAME: 1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 1-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C27H36N2O9
MOLECULAR WEIGHT: 532.58274
SMILES: CC(CN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H25N3O3
MOLECULAR WEIGHT: 511.5699
SMILES: C1=CC=C(C=C1)C(=C2C3C=C(C2C4C3C(=O)NC4=O)C(C5=CC=CC=C5)(C6=CC=CC=N6)O)C7=CC=CC=N7
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Product OPENEYE NAME: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-1-sulfonate
CAS Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]-3-methylphenyl]-2-methylphenyl]azo-1-naphthalenesulfonate
IUPAC NAME: disodium 4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: disodium 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C34H26N6Na2O6S2
MOLECULAR WEIGHT: 724.71638
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+]
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Product OPENEYE NAME: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-1-sulfonic acid
CAS Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthalenyl)azo]-3-methylphenyl]-2-methylphenyl]azo-1-naphthalenesulfonic acid
IUPAC NAME: 4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C34H28N6O6S2
MOLECULAR WEIGHT: 680.75272
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N
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Product OPENEYE NAME: methylphosphonic acid
CAS Name: methylphosphonic acid
IUPAC NAME: methylphosphonic acid
SYSTEMATIC NAME: methylphosphonic acid
MOLECULAR FORMULA: CH5O3P
MOLECULAR WEIGHT: 96.022361
SMILES: CP(=O)(O)O
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Product OPENEYE NAME: chloro(triethyl)silane
CAS Name: chloro(triethyl)silane
IUPAC NAME: chloro(triethyl)silane
SYSTEMATIC NAME: chloranyl(triethyl)silane
MOLECULAR FORMULA: C6H15ClSi
MOLECULAR WEIGHT: 150.7218
SMILES: CC[Si](CC)(CC)Cl
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Product OPENEYE NAME: chloro(triethyl)stannane
CAS Name: chloro(triethyl)stannane
IUPAC NAME: chloro(triethyl)stannane
SYSTEMATIC NAME: chloranyl(triethyl)stannane
MOLECULAR FORMULA: C6H15ClSn
MOLECULAR WEIGHT: 241.3463
SMILES: CC[Sn](CC)(CC)Cl
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Product OPENEYE NAME: triethylstannane
CAS Name: triethylstannane
IUPAC NAME: triethylstannane
SYSTEMATIC NAME: triethylstannane
MOLECULAR FORMULA: C6H16Sn
MOLECULAR WEIGHT: 206.90124
SMILES: CC[SnH](CC)CC
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Product OPENEYE NAME: tetrapropylgermane
CAS Name: tetrapropylgermane
IUPAC NAME: tetrapropylgermane
SYSTEMATIC NAME: tetrapropylgermane
MOLECULAR FORMULA: C12H28Ge
MOLECULAR WEIGHT: 244.99072
SMILES: CCC[Ge](CCC)(CCC)CCC
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Product OPENEYE NAME: bromo(dinitro)methane
CAS Name: bromo(dinitro)methane
IUPAC NAME: bromo(dinitro)methane
SYSTEMATIC NAME: bromanyl(dinitro)methane
MOLECULAR FORMULA: CHBrN2O4
MOLECULAR WEIGHT: 184.93364
SMILES: C([N+](=O)[O-])([N+](=O)[O-])Br
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Product OPENEYE NAME: ethanedihydrazide
CAS Name: ethanedihydrazide
IUPAC NAME: ethanedihydrazide
SYSTEMATIC NAME: ethanedihydrazide
MOLECULAR FORMULA: C2H6N4O2
MOLECULAR WEIGHT: 118.09464
SMILES: C(=O)(C(=O)NN)NN
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