Product OPENEYE NAME: 6-ethyl-1,1,4,4-tetramethyl-tetralin
CAS Name: 6-ethyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
IUPAC NAME: 6-ethyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SYSTEMATIC NAME: 6-ethyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
MOLECULAR FORMULA: C16H24
MOLECULAR WEIGHT: 216.36176
SMILES: CCC1=CC2=C(C=C1)C(CCC2(C)C)(C)C
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Product OPENEYE NAME: 2-nitrobenzenesulfonic acid
CAS Name: 2-nitrobenzenesulfonic acid
IUPAC NAME: 2-nitrobenzenesulfonic acid
SYSTEMATIC NAME: 2-nitrobenzenesulfonic acid
MOLECULAR FORMULA: C6H5NO5S
MOLECULAR WEIGHT: 203.1726
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)O
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Product OPENEYE NAME: (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H48O
MOLECULAR WEIGHT: 388.66942
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
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Product OPENEYE NAME: naphthalene-1,5-disulfonic acid
CAS Name: naphthalene-1,5-disulfonic acid
IUPAC NAME: naphthalene-1,5-disulfonic acid
SYSTEMATIC NAME: naphthalene-1,5-disulfonic acid
MOLECULAR FORMULA: C10H8O6S2
MOLECULAR WEIGHT: 288.29692
SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O
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Product OPENEYE NAME: 1-aminonaphthalene-2-sulfonic acid
CAS Name: 1-amino-2-naphthalenesulfonic acid
IUPAC NAME: 1-aminonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 1-azanylnaphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H9NO3S
MOLECULAR WEIGHT: 223.24836
SMILES: C1=CC=C2C(=C1)C=CC(=C2N)S(=O)(=O)O
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Product OPENEYE NAME: 5-amino-2-[2-(4-amino-2-sulfo-phenyl)vinyl]benzenesulfonic acid
CAS Name: 5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
IUPAC NAME: 5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-azanyl-2-[2-(4-azanyl-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C14H14N2O6S2
MOLECULAR WEIGHT: 370.40076
SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
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Product OPENEYE NAME: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone
CAS Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
IUPAC NAME: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
SYSTEMATIC NAME: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
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Product OPENEYE NAME: 2-aminonaphthalene-1-sulfonic acid
CAS Name: 2-amino-1-naphthalenesulfonic acid
IUPAC NAME: 2-aminonaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 2-azanylnaphthalene-1-sulfonic acid
MOLECULAR FORMULA: C10H9NO3S
MOLECULAR WEIGHT: 223.24836
SMILES: C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N
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Product OPENEYE NAME: 1,3-dichloro-2-(dichloromethyl)benzene
CAS Name: 1,3-dichloro-2-(dichloromethyl)benzene
IUPAC NAME: 1,3-dichloro-2-(dichloromethyl)benzene
SYSTEMATIC NAME: 2-[bis(chloranyl)methyl]-1,3-bis(chloranyl)benzene
MOLECULAR FORMULA: C7H4Cl4
MOLECULAR WEIGHT: 229.91866
SMILES: C1=CC(=C(C(=C1)Cl)C(Cl)Cl)Cl
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Product OPENEYE NAME: 1,3-dimethyl-2-nitro-benzene
CAS Name: 1,3-dimethyl-2-nitrobenzene
IUPAC NAME: 1,3-dimethyl-2-nitrobenzene
SYSTEMATIC NAME: 1,3-dimethyl-2-nitro-benzene
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C1C2C3CC4C(C3C1C5C2O5)O4
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Product OPENEYE NAME: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC NAME: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanylidene)-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H34O5
MOLECULAR WEIGHT: 402.52376
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C
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Product OPENEYE NAME: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]ethanesulfonic acid
CAS Name: 2-[[(4R)-1-oxo-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]ethanesulfonic acid
MOLECULAR FORMULA: C26H45NO7S
MOLECULAR WEIGHT: 515.703
SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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Product OPENEYE NAME: 4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoic acid
CAS Name: 4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoic acid
IUPAC NAME: 4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoic acid
SYSTEMATIC NAME: 4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoic acid
MOLECULAR FORMULA: C24H40O5
MOLECULAR WEIGHT: 408.5714
SMILES: CC(CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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Product OPENEYE NAME: 2-methyl-1-(2-methyl-9,10-dioxo-1-anthryl)anthracene-9,10-dione
CAS Name: 2-methyl-1-(2-methyl-9,10-dioxo-1-anthracenyl)anthracene-9,10-dione
IUPAC NAME: 2-methyl-1-(2-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
SYSTEMATIC NAME: 2-methyl-1-[2-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]anthracene-9,10-dione
MOLECULAR FORMULA: C30H18O4
MOLECULAR WEIGHT: 442.46152
SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C4=C(C=CC5=C4C(=O)C6=CC=CC=C6C5=O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H4O6
MOLECULAR WEIGHT: 268.17796
SMILES: C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O
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Product OPENEYE NAME: N-(4-chloro-9,10-dioxo-1-anthryl)benzamide
CAS Name: N-(4-chloro-9,10-dioxo-1-anthracenyl)benzamide
IUPAC NAME: N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide
SYSTEMATIC NAME: N-[4-chloranyl-9,10-bis(oxidanylidene)anthracen-1-yl]benzamide
MOLECULAR FORMULA: C21H12ClNO3
MOLECULAR WEIGHT: 361.77788
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Cl)C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 1-hydroxy-4-(4-methylanilino)anthracene-9,10-dione
CAS Name: 1-hydroxy-4-(4-methylanilino)anthracene-9,10-dione
IUPAC NAME: 1-hydroxy-4-(4-methylanilino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-[(4-methylphenyl)amino]-4-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C21H15NO3
MOLECULAR WEIGHT: 329.3487
SMILES: CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 1-amino-2,4-dibromo-anthracene-9,10-dione
CAS Name: 1-amino-2,4-dibromoanthracene-9,10-dione
IUPAC NAME: 1-amino-2,4-dibromoanthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-2,4-bis(bromanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H7Br2NO2
MOLECULAR WEIGHT: 381.01888
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N
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Product OPENEYE NAME: 1-amino-2,4-dihydroxy-anthracene-9,10-dione
CAS Name: 1-amino-2,4-dihydroxyanthracene-9,10-dione
IUPAC NAME: 1-amino-2,4-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-2,4-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H9NO4
MOLECULAR WEIGHT: 255.22556
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)N
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Product OPENEYE NAME: 1,2,4-trihydroxyanthracene-9,10-dione
CAS Name: 1,2,4-trihydroxyanthracene-9,10-dione
IUPAC NAME: 1,2,4-trihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,2,4-tris(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H8O5
MOLECULAR WEIGHT: 256.21032
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O
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Product OPENEYE NAME: 1,4,5,8-tetrahydroxyanthracene-9,10-dione
CAS Name: 1,4,5,8-tetrahydroxyanthracene-9,10-dione
IUPAC NAME: 1,4,5,8-tetrahydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,4,5,8-tetrakis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H8O6
MOLECULAR WEIGHT: 272.20972
SMILES: C1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O
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Product OPENEYE NAME: 1,4-dihydroxyanthracene-9,10-dione
CAS Name: 1,4-dihydroxyanthracene-9,10-dione
IUPAC NAME: 1,4-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H8O4
MOLECULAR WEIGHT: 240.21092
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
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Product OPENEYE NAME: 1-amino-4-(4-amino-3-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid
CAS Name: 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid
IUPAC NAME: 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 1-azanyl-4-[(4-azanyl-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C20H15N3O8S2
MOLECULAR WEIGHT: 489.4784
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N
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