Product OPENEYE NAME: [tris(dimethylcarbamothioylsulfanyl)-$l^{4}-selanyl] N,N-dimethylcarbamodithioate
CAS Name: N,N-dimethylcarbamodithioic acid [tris[[dimethylamino(sulfanylidene)methyl]thio]-$l^{4}-selanyl] ester
IUPAC NAME: [tris(dimethylcarbamothioylsulfanyl)-$l^{4}-selanyl] N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: [tris(dimethylcarbamothioylsulfanyl)-$l^{4}-selanyl] N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C12H24N4S8Se
MOLECULAR WEIGHT: 559.82576
SMILES: CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C
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Product OPENEYE NAME: 2-dimethoxyphosphinothioylsulfanyl-1-morpholino-ethanone
CAS Name: 2-(dimethoxyphosphinothioylthio)-1-(4-morpholinyl)ethanone
IUPAC NAME: 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C8H16NO4PS2
MOLECULAR WEIGHT: 285.320701
SMILES: COP(=S)(OC)SCC(=O)N1CCOCC1
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Product OPENEYE NAME: disodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate
CAS Name: disodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate
IUPAC NAME: disodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate
SYSTEMATIC NAME: disodium [[4-[4-(sulfinatomethylamino)phenyl]sulfonylphenyl]amino]methanesulfinate
MOLECULAR FORMULA: C14H14N2Na2O6S3
MOLECULAR WEIGHT: 448.4453
SMILES: C1=CC(=CC=C1NCS(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NCS(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CAS Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
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Product OPENEYE NAME: (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-oxidanylethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
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Product OPENEYE NAME: 2-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
CAS Name: 2-[[1-oxo-4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethanesulfonic acid
IUPAC NAME: 2-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[4-[(3R,7R,12S)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
MOLECULAR FORMULA: C26H45NO7S
MOLECULAR WEIGHT: 515.703
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1([C@H](CC3C2[C@@H](CC4C3(CC[C@H](C4)O)C)O)O)C
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Product OPENEYE NAME: 1,4-dihydroxy-9,10-dioxo-anthracene-2-sulfonic acid
CAS Name: 1,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid
IUPAC NAME: 1,4-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C14H8O7S
MOLECULAR WEIGHT: 320.27412
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)S(=O)(=O)O)O
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Product OPENEYE NAME: 7-chloroindan-4-ol
CAS Name: 7-chloro-2,3-dihydro-1H-inden-4-ol
IUPAC NAME: 7-chloro-2,3-dihydro-1H-inden-4-ol
SYSTEMATIC NAME: 7-chloranyl-2,3-dihydro-1H-inden-4-ol
MOLECULAR FORMULA: C9H9ClO
MOLECULAR WEIGHT: 168.62016
SMILES: C1CC2=C(C=CC(=C2C1)Cl)O
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Product OPENEYE NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] hydrogen phosphate
IUPAC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3R,4R)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
MOLECULAR FORMULA: C27H33N9O15P2
MOLECULAR WEIGHT: 785.549742
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O
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Product OPENEYE NAME: [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
CAS Name: [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
IUPAC NAME: [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3R,4R)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
MOLECULAR FORMULA: C17H21N4O9P
MOLECULAR WEIGHT: 456.343801
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O
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Product OPENEYE NAME: 6-allyl-5,7-dihydrobenzo[d][2]benzazepine
CAS Name: 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
IUPAC NAME: 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
SYSTEMATIC NAME: 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
MOLECULAR FORMULA: C17H17N
MOLECULAR WEIGHT: 235.32358
SMILES: C=CCN1CC2=CC=CC=C2C3=CC=CC=C3C1
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Product OPENEYE NAME: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; (R)-(6-methoxy-4-quinolyl)-[(2S,4R,5R)-5-vinylquinuclidin-2-yl]methanol
CAS Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; (R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol
IUPAC NAME: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; (R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
SYSTEMATIC NAME: (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; (R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
MOLECULAR FORMULA: C32H40N2O14
MOLECULAR WEIGHT: 676.665
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O.C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
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Product OPENEYE NAME: diisohexyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid bis(4-methylpentyl) ester
IUPAC NAME: bis(4-methylpentyl) benzene-1,2-dicarboxylate
SYSTEMATIC NAME: bis(4-methylpentyl) benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C
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Product OPENEYE NAME: N'-(2-chloroethyl)-N-(6-chloro-2-methoxy-acridin-9-yl)-N'-ethyl-propane-1,3-diamine dihydrochloride
CAS Name: N'-(2-chloroethyl)-N-(6-chloro-2-methoxy-9-acridinyl)-N'-ethylpropane-1,3-diamine dihydrochloride
IUPAC NAME: N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine dihydrochloride
SYSTEMATIC NAME: N-(6-chloranyl-2-methoxy-acridin-9-yl)-N'-(2-chloroethyl)-N'-ethyl-propane-1,3-diamine dihydrochloride
MOLECULAR FORMULA: C21H27Cl4N3O
MOLECULAR WEIGHT: 479.27058
SMILES: CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl.Cl.Cl
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Product OPENEYE NAME: N'-(2-chloroethyl)-N-(6-chloro-2-methoxy-acridin-9-yl)-N'-ethyl-propane-1,3-diamine
CAS Name: N'-(2-chloroethyl)-N-(6-chloro-2-methoxy-9-acridinyl)-N'-ethylpropane-1,3-diamine
IUPAC NAME: N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine
SYSTEMATIC NAME: N-(6-chloranyl-2-methoxy-acridin-9-yl)-N'-(2-chloroethyl)-N'-ethyl-propane-1,3-diamine
MOLECULAR FORMULA: C21H25Cl2N3O
MOLECULAR WEIGHT: 406.3487
SMILES: CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl
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Product OPENEYE NAME: (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-methoxy-hexanal
CAS Name: (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
IUPAC NAME: (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
SYSTEMATIC NAME: (2R,3S,4R,5R)-3-methoxy-2,4,5,6-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C7H14O6
MOLECULAR WEIGHT: 194.18246
SMILES: CO[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O
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Product OPENEYE NAME: (2R,3R,4S,5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3R,4S,5R)-2-(6-amino-2-chloro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC NAME: (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12ClN5O4
MOLECULAR WEIGHT: 301.68638
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2N)Cl
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Product OPENEYE NAME: (2R,3R,4S,5R)-2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3R,4S,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC NAME: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(6-azanyl-2-fluoranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12FN5O4
MOLECULAR WEIGHT: 285.231783
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2N)F
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Product OPENEYE NAME: silver 2,4,6-trinitrophenolate
CAS Name: silver 2,4,6-trinitrophenolate
IUPAC NAME: silver 2,4,6-trinitrophenolate
SYSTEMATIC NAME: silver 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C6H2AgN3O7
MOLECULAR WEIGHT: 335.96418
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Ag+]
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Product OPENEYE NAME: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
CAS Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate
IUPAC NAME: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N5O11P2
MOLECULAR WEIGHT: 443.200522
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H16CuN8
MOLECULAR WEIGHT: 576.06904
SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=NC(=NC6=NC(=NC2=N3)C7=CC=CC=C76)C8=CC=CC=C85)C9=CC=CC=C94.[Cu]
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Product OPENEYE NAME: 2-benzhydryloxy-N,N-dimethyl-ethanamine hydrochloride
CAS Name: 2-(diphenylmethyl)oxy-N,N-dimethylethanamine hydrochloride
IUPAC NAME: 2-benzhydryloxy-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C17H22ClNO
MOLECULAR WEIGHT: 291.81568
SMILES: CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl
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Product OPENEYE NAME: 2,2,4-trimethyl-1H-quinoline
CAS Name: 2,2,4-trimethyl-1H-quinoline
IUPAC NAME: 2,2,4-trimethyl-1H-quinoline
SYSTEMATIC NAME: 2,2,4-trimethyl-1H-quinoline
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: CC1=CC(NC2=CC=CC=C12)(C)C
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