Wednesday, July 10, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (6Z,8Z,10Z)-benzo[9]annulen-5-one
CAS Name: (6Z,8Z,10Z)-5-benzo[9]annulenone
IUPAC NAME: (6Z,8Z,10Z)-benzo[9]annulen-5-one
SYSTEMATIC NAME: (6Z,8Z,10Z)-benzo[9]annulen-5-one
MOLECULAR FORMULA: C13H10O
MOLECULAR WEIGHT: 182.2179
SMILES: C\1=C\C=C/C(=O)C2=CC=CC=C2\C=C1
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Product OPENEYE NAME: dimethyl 2-[2-[2-(5-methylfuran-2-carbonyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate
CAS Name: 2-[2-[2-[(5-methyl-2-furanyl)-oxomethyl]-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester
IUPAC NAME: dimethyl 2-[2-[2-(5-methylfuran-2-carbonyl)-5-methylsulfanylpyrrol-1-yl]ethyl]propanedioate
SYSTEMATIC NAME: dimethyl 2-[2-[2-(5-methylfuran-2-yl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate
MOLECULAR FORMULA: C18H21NO6S
MOLECULAR WEIGHT: 379.42744
SMILES: CC1=CC=C(O1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)SC
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Product OPENEYE NAME: 6-chloro-5-(3-chlorothiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CAS Name: 6-chloro-5-[(3-chloro-2-thiophenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
IUPAC NAME: 6-chloro-5-(3-chlorothiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SYSTEMATIC NAME: 6-chloranyl-5-(3-chloranylthiophen-2-yl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
MOLECULAR FORMULA: C13H9Cl2NO3S
MOLECULAR WEIGHT: 330.18646
SMILES: C1CN2C(=CC(=C2C(=O)C3=C(C=CS3)Cl)Cl)C1C(=O)O
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Product OPENEYE NAME: 6-bromo-5-(3-methylfuran-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CAS Name: 6-bromo-5-[(3-methyl-2-furanyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
IUPAC NAME: 6-bromo-5-(3-methylfuran-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SYSTEMATIC NAME: 6-bromanyl-5-(3-methylfuran-2-yl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
MOLECULAR FORMULA: C14H12BrNO4
MOLECULAR WEIGHT: 338.15338
SMILES: CC1=C(OC=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Br
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Product OPENEYE NAME: (4-chloro-1H-pyrrol-2-yl)-dimethyl-sulfonium chloride
CAS Name: (4-chloro-1H-pyrrol-2-yl)-dimethylsulfonium chloride
IUPAC NAME: (4-chloro-1H-pyrrol-2-yl)-dimethylsulfanium chloride
SYSTEMATIC NAME: (4-chloranyl-1H-pyrrol-2-yl)-dimethyl-sulfanium chloride
MOLECULAR FORMULA: C6H9Cl2NS
MOLECULAR WEIGHT: 198.11336
SMILES: C[S+](C)C1=CC(=CN1)Cl.[Cl-]
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Product OPENEYE NAME: (4-chloro-1H-pyrrol-2-yl)-dimethyl-sulfonium
CAS Name: (4-chloro-1H-pyrrol-2-yl)-dimethylsulfonium
IUPAC NAME: (4-chloro-1H-pyrrol-2-yl)-dimethylsulfanium
SYSTEMATIC NAME: (4-chloranyl-1H-pyrrol-2-yl)-dimethyl-sulfanium
MOLECULAR FORMULA: C6H9ClNS+
MOLECULAR WEIGHT: 162.66036
SMILES: C[S+](C)C1=CC(=CN1)Cl
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Product OPENEYE NAME: 6-chloro-5-(thiophene-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CAS Name: 6-chloro-5-[oxo(3-thiophenyl)methyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
IUPAC NAME: 6-chloro-5-(thiophene-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SYSTEMATIC NAME: 6-chloranyl-5-thiophen-3-ylcarbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
MOLECULAR FORMULA: C13H10ClNO3S
MOLECULAR WEIGHT: 295.7414
SMILES: C1CN2C(=CC(=C2C(=O)C3=CSC=C3)Cl)C1C(=O)O
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Product OPENEYE NAME: dimethyl(1H-pyrrol-2-yl)sulfonium chloride
CAS Name: dimethyl(1H-pyrrol-2-yl)sulfonium chloride
IUPAC NAME: dimethyl(1H-pyrrol-2-yl)sulfanium chloride
SYSTEMATIC NAME: dimethyl(1H-pyrrol-2-yl)sulfanium chloride
MOLECULAR FORMULA: C6H10ClNS
MOLECULAR WEIGHT: 163.6683
SMILES: C[S+](C)C1=CC=CN1.[Cl-]
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Product OPENEYE NAME: dimethyl(1H-pyrrol-2-yl)sulfonium
CAS Name: dimethyl(1H-pyrrol-2-yl)sulfonium
IUPAC NAME: dimethyl(1H-pyrrol-2-yl)sulfanium
SYSTEMATIC NAME: dimethyl(1H-pyrrol-2-yl)sulfanium
MOLECULAR FORMULA: C6H10NS+
MOLECULAR WEIGHT: 128.2153
SMILES: C[S+](C)C1=CC=CN1
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Product OPENEYE NAME: 5-[2-[3-chloro-2-(4-chlorobenzoyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS Name: 5-[2-[3-chloro-2-[(4-chlorophenyl)-oxomethyl]-5-(methylthio)-1-pyrrolyl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
IUPAC NAME: 5-[2-[3-chloro-2-(4-chlorobenzoyl)-5-methylsulfanylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SYSTEMATIC NAME: 5-[2-[3-chloranyl-2-(4-chlorophenyl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
MOLECULAR FORMULA: C20H19Cl2NO5S
MOLECULAR WEIGHT: 456.33956
SMILES: CC1(OC(=O)C(C(=O)O1)CCN2C(=CC(=C2C(=O)C3=CC=C(C=C3)Cl)Cl)SC)C
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Product OPENEYE NAME: (3-methoxyphenyl)-(5-methylsulfanyl-1H-pyrrol-2-yl)methanone
CAS Name: (3-methoxyphenyl)-[5-(methylthio)-1H-pyrrol-2-yl]methanone
IUPAC NAME: (3-methoxyphenyl)-(5-methylsulfanyl-1H-pyrrol-2-yl)methanone
SYSTEMATIC NAME: (3-methoxyphenyl)-(5-methylsulfanyl-1H-pyrrol-2-yl)methanone
MOLECULAR FORMULA: C13H13NO2S
MOLECULAR WEIGHT: 247.31282
SMILES: COC1=CC=CC(=C1)C(=O)C2=CC=C(N2)SC
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Product OPENEYE NAME: 6-bromo-5-(2,4-dimethylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CAS Name: 6-bromo-5-[(2,4-dimethylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
IUPAC NAME: 6-bromo-5-(2,4-dimethylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SYSTEMATIC NAME: 6-bromanyl-5-(2,4-dimethylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
MOLECULAR FORMULA: C17H16BrNO3
MOLECULAR WEIGHT: 362.21784
SMILES: CC1=CC(=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Br)C
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