Product OPENEYE NAME: 4-isopropyl-1,6-dimethyl-tetralin
CAS Name: 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
IUPAC NAME: 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C15H22
MOLECULAR WEIGHT: 202.33518
SMILES: CC1CCC(C2=C1C=CC(=C2)C)C(C)C
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Product OPENEYE NAME: 4-isopropyl-1,6-dimethyl-naphthalene
CAS Name: 1,6-dimethyl-4-propan-2-ylnaphthalene
IUPAC NAME: 1,6-dimethyl-4-propan-2-ylnaphthalene
SYSTEMATIC NAME: 1,6-dimethyl-4-propan-2-yl-naphthalene
MOLECULAR FORMULA: C15H18
MOLECULAR WEIGHT: 198.30342
SMILES: CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C
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Product OPENEYE NAME: 8-hydroxy-5,7-dinitro-naphthalene-2-sulfonic acid
CAS Name: 8-hydroxy-5,7-dinitro-2-naphthalenesulfonic acid
IUPAC NAME: 8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 5,7-dinitro-8-oxidanyl-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H6N2O8S
MOLECULAR WEIGHT: 314.22824
SMILES: C1=CC2=C(C=C1S(=O)(=O)O)C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O
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Product OPENEYE NAME: 4,6,7-trimethoxyfuro[2,3-b]quinoline
CAS Name: 4,6,7-trimethoxyfuro[2,3-b]quinoline
IUPAC NAME: 4,6,7-trimethoxyfuro[2,3-b]quinoline
SYSTEMATIC NAME: 4,6,7-trimethoxyfuro[2,3-b]quinoline
MOLECULAR FORMULA: C14H13NO4
MOLECULAR WEIGHT: 259.25732
SMILES: COC1=C(C=C2C(=C1)C(=C3C=COC3=N2)OC)OC
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Product OPENEYE NAME: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
CAS Name: 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one
IUPAC NAME: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
SYSTEMATIC NAME: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
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Product OPENEYE NAME: phenanthren-9-ol
CAS Name: 9-phenanthrenol
IUPAC NAME: phenanthren-9-ol
SYSTEMATIC NAME: phenanthren-9-ol
MOLECULAR FORMULA: C14H10O
MOLECULAR WEIGHT: 194.2286
SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)O
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Product OPENEYE NAME: (4-hydrazinophthalazin-1-yl)hydrazine
CAS Name: (4-hydrazinyl-1-phthalazinyl)hydrazine
IUPAC NAME: (4-hydrazinylphthalazin-1-yl)hydrazine
SYSTEMATIC NAME: (4-diazanylphthalazin-1-yl)diazane
MOLECULAR FORMULA: C8H10N6
MOLECULAR WEIGHT: 190.2052
SMILES: C1=CC=C2C(=C1)C(=NN=C2NN)NN
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Product OPENEYE NAME: 6-allyl-4,5-dimethoxy-1,3-benzodioxole
CAS Name: 4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole
IUPAC NAME: 4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole
SYSTEMATIC NAME: 4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: COC1=C(C2=C(C=C1CC=C)OCO2)OC
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Product OPENEYE NAME: 2,4,5-triphenyl-1H-imidazole
CAS Name: 2,4,5-triphenyl-1H-imidazole
IUPAC NAME: 2,4,5-triphenyl-1H-imidazole
SYSTEMATIC NAME: 2,4,5-triphenyl-1H-imidazole
MOLECULAR FORMULA: C21H16N2
MOLECULAR WEIGHT: 296.36514
SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CAS Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
IUPAC NAME: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SYSTEMATIC NAME: 6-methoxy-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
MOLECULAR FORMULA: C19H23NO4
MOLECULAR WEIGHT: 329.39022
SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
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Product OPENEYE NAME: (2,4-dinitro-6-sec-butyl-phenyl) 3-methylbut-2-enoate
CAS Name: 3-methyl-2-butenoic acid (2-butan-2-yl-4,6-dinitrophenyl) ester
IUPAC NAME: (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate
SYSTEMATIC NAME: (2-butan-2-yl-4,6-dinitro-phenyl) 3-methylbut-2-enoate
MOLECULAR FORMULA: C15H18N2O6
MOLECULAR WEIGHT: 322.31322
SMILES: CCC(C)C1=CC(=CC(=C1OC(=O)C=C(C)C)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2
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Product OPENEYE NAME: 2,2-dihydroxyindane-1,3-dione
CAS Name: 2,2-dihydroxyindene-1,3-dione
IUPAC NAME: 2,2-dihydroxyindene-1,3-dione
SYSTEMATIC NAME: 2,2-bis(oxidanyl)indene-1,3-dione
MOLECULAR FORMULA: C9H6O4
MOLECULAR WEIGHT: 178.14154
SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O
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Product OPENEYE NAME: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
CAS Name: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
IUPAC NAME: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
SYSTEMATIC NAME: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C20H17NO6
MOLECULAR WEIGHT: 367.35208
SMILES: CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
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Product OPENEYE NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl sulfo hydrogen phosphate
IUPAC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfo hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfo hydrogen phosphate
MOLECULAR FORMULA: C10H14N5O10PS
MOLECULAR WEIGHT: 427.284421
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)O)O
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Product OPENEYE NAME: 3-hydroxy-2-phenyl-quinoline-4-carboxylic acid
CAS Name: 3-hydroxy-2-phenyl-4-quinolinecarboxylic acid
IUPAC NAME: 3-hydroxy-2-phenylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 3-oxidanyl-2-phenyl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H11NO3
MOLECULAR WEIGHT: 265.26344
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O
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Product OPENEYE NAME: 2-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanyl-N,N-dimethyl-ethanamine
CAS Name: 2-[[[4-(butylthio)phenyl]-phenylmethyl]thio]-N,N-dimethylethanamine
IUPAC NAME: 2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanyl-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C21H29NS2
MOLECULAR WEIGHT: 359.59166
SMILES: CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN(C)C
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Product OPENEYE NAME: fluoren-9-one
CAS Name: 9-fluorenone
IUPAC NAME: fluoren-9-one
SYSTEMATIC NAME: fluoren-9-one
MOLECULAR FORMULA: C13H8O
MOLECULAR WEIGHT: 180.20202
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: 3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CAS Name: 3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
IUPAC NAME: 3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SYSTEMATIC NAME: 3-oxidanyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: C1CN2C(=NC3=CC=CC=C3C2=O)C1O
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