Friday, July 6, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 7-hydroxy-8-(2-methoxyethyl)-6-phenyl-thiazolo[3,2-a]pyrimidin-8-ium-5-one
CAS Name: 7-hydroxy-8-(2-methoxyethyl)-6-phenyl-5-thiazolo[3,2-a]pyrimidin-8-iumone
IUPAC NAME: 7-hydroxy-8-(2-methoxyethyl)-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
SYSTEMATIC NAME: 8-(2-methoxyethyl)-7-oxidanyl-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
MOLECULAR FORMULA: C15H15N2O3S+
MOLECULAR WEIGHT: 303.3562
SMILES: COCC[N+]1=C2N(C=CS2)C(=O)C(=C1O)C3=CC=CC=C3
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Product OPENEYE NAME: 5-(5-methylbenzotriazol-1-yl)-2H-triazole-4-carbonyl chloride
CAS Name: 5-(5-methyl-1-benzotriazolyl)-2H-triazole-4-carbonyl chloride
IUPAC NAME: 5-(5-methylbenzotriazol-1-yl)-2H-triazole-4-carbonyl chloride
SYSTEMATIC NAME: 5-(5-methylbenzotriazol-1-yl)-2H-1,2,3-triazole-4-carbonyl chloride
MOLECULAR FORMULA: C10H7ClN6O
MOLECULAR WEIGHT: 262.65518
SMILES: CC1=CC2=C(C=C1)N(N=N2)C3=NNN=C3C(=O)Cl
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Product OPENEYE NAME: tert-butyl 2,3-dihydroxybenzoate
CAS Name: 2,3-dihydroxybenzoic acid tert-butyl ester
IUPAC NAME: tert-butyl 2,3-dihydroxybenzoate
SYSTEMATIC NAME: tert-butyl 2,3-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: CC(C)(C)OC(=O)C1=C(C(=CC=C1)O)O
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Product OPENEYE NAME: tert-butyl 2,4-dihydroxybenzoate
CAS Name: 2,4-dihydroxybenzoic acid tert-butyl ester
IUPAC NAME: tert-butyl 2,4-dihydroxybenzoate
SYSTEMATIC NAME: tert-butyl 2,4-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: CC(C)(C)OC(=O)C1=C(C=C(C=C1)O)O
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Product OPENEYE NAME: tert-butyl 2,5-dihydroxybenzoate
CAS Name: 2,5-dihydroxybenzoic acid tert-butyl ester
IUPAC NAME: tert-butyl 2,5-dihydroxybenzoate
SYSTEMATIC NAME: tert-butyl 2,5-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: CC(C)(C)OC(=O)C1=C(C=CC(=C1)O)O
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Product OPENEYE NAME: methyl 5-[(2Z)-2-(1,2-dimethylpropylidene)hydrazino]-2-hydroxy-benzoate
CAS Name: 2-hydroxy-5-[(2Z)-2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid methyl ester
IUPAC NAME: methyl 2-hydroxy-5-[(2Z)-2-(3-methylbutan-2-ylidene)hydrazinyl]benzoate
SYSTEMATIC NAME: methyl 5-[(2Z)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxidanyl-benzoate
MOLECULAR FORMULA: C13H18N2O3
MOLECULAR WEIGHT: 250.29362
SMILES: CC(C)/C(=N\NC1=CC(=C(C=C1)O)C(=O)OC)/C
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Product OPENEYE NAME: [(3E)-3-(anilinomethylene)-2-chloro-cyclohexen-1-yl]methylene-phenyl-ammonium
CAS Name: [(3E)-3-(anilinomethylidene)-2-chloro-1-cyclohexenyl]methylidene-phenylammonium
IUPAC NAME: [(3E)-3-(anilinomethylidene)-2-chlorocyclohexen-1-yl]methylidene-phenylazanium
SYSTEMATIC NAME: [(3E)-2-chloranyl-3-(phenylazanylmethylidene)cyclohexen-1-yl]methylidene-phenyl-azanium
MOLECULAR FORMULA: C20H20ClN2+
MOLECULAR WEIGHT: 323.8392
SMILES: C1C/C(=C\NC2=CC=CC=C2)/C(=C(C1)C=[NH+]C3=CC=CC=C3)Cl
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Product OPENEYE NAME: 2-[(7R,8S)-6-anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-6-methoxy-phenol
CAS Name: 2-[(7R,8S)-6-anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl]-6-methoxyphenol
IUPAC NAME: 2-[(7R,8S)-6-anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-6-methoxyphenol
SYSTEMATIC NAME: 2-methoxy-6-[(7R,8S)-7-methyl-6-phenylazanyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)O
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Product OPENEYE NAME: 2-methoxy-6-[(7R,8S)-7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol
CAS Name: 2-methoxy-6-[(7R,8S)-7-methyl-6-(phenylhydrazo)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl]phenol
IUPAC NAME: 2-methoxy-6-[(7R,8S)-7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol
SYSTEMATIC NAME: 2-methoxy-6-[(7R,8S)-7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol
MOLECULAR FORMULA: C24H24N2O5
MOLECULAR WEIGHT: 420.45776
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)O
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Product OPENEYE NAME: [[(7R,8S)-8-(2-hydroxy-3-methoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea
CAS Name: [[(7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]amino]urea
IUPAC NAME: [[(7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea
SYSTEMATIC NAME: 1-[[(7R,8S)-8-(3-methoxy-2-oxidanyl-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea
MOLECULAR FORMULA: C19H21N3O6
MOLECULAR WEIGHT: 387.38654
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=C(C(=CC=C4)OC)O
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Product OPENEYE NAME: (7R,8R)-8-(2,3-dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
CAS Name: (7R,8R)-8-(2,3-dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-amine
IUPAC NAME: (7R,8R)-8-(2,3-dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
SYSTEMATIC NAME: (7R,8R)-8-(2,3-dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
MOLECULAR FORMULA: C25H25NO5
MOLECULAR WEIGHT: 419.4697
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)OC
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Product OPENEYE NAME: (7R,8R)-8-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
CAS Name: (7R,8R)-8-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-amine
IUPAC NAME: (7R,8R)-8-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
SYSTEMATIC NAME: (7R,8R)-8-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
MOLECULAR FORMULA: C26H27NO6
MOLECULAR WEIGHT: 449.49568
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=C(C(=CC=C5)OC)OC
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Product OPENEYE NAME: [[(7R,8R)-8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea
CAS Name: [[(7R,8R)-8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]amino]urea
IUPAC NAME: [[(7R,8R)-8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea
SYSTEMATIC NAME: 1-[[(7R,8R)-8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea
MOLECULAR FORMULA: C20H23N3O6
MOLECULAR WEIGHT: 401.41312
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=C(C(=CC=C4)OC)OC
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Product OPENEYE NAME: (6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
CAS Name: (6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol
IUPAC NAME: (6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
SYSTEMATIC NAME: (6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
MOLECULAR FORMULA: C18H18O5
MOLECULAR WEIGHT: 314.33252
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2O[C@H]1O)OCO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 1-[(6S,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenyl-hydrazine
CAS Name: 1-[(6S,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]-2-phenylhydrazine
IUPAC NAME: 1-[(6S,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine
SYSTEMATIC NAME: 1-[(6S,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenyl-diazane
MOLECULAR FORMULA: C24H24N2O4
MOLECULAR WEIGHT: 404.45836
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2O[C@@H]1NNC4=CC=CC=C4)OCO3)C5=CC=C(C=C5)OC
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Product OPENEYE NAME: (6R,7R,8S)-7-methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
CAS Name: (6R,7R,8S)-7-methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-amine
IUPAC NAME: (6R,7R,8S)-7-methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
SYSTEMATIC NAME: (6R,7R,8S)-7-methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
MOLECULAR FORMULA: C26H27NO6
MOLECULAR WEIGHT: 449.49568
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2O[C@H]1NC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC
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Product OPENEYE NAME: (6S,7R,8S)-N-(4-methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
CAS Name: (6S,7R,8S)-N-(4-methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-amine
IUPAC NAME: (6S,7R,8S)-N-(4-methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
SYSTEMATIC NAME: (6S,7R,8S)-N-(4-methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine
MOLECULAR FORMULA: C27H29NO7
MOLECULAR WEIGHT: 479.52166
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2O[C@@H]1NC4=CC=C(C=C4)OC)OCO3)C5=CC(=C(C(=C5)OC)OC)OC
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