Sunday, July 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (2S,4aS,9aS)-2-(4-chlorophenyl)-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
CAS Name: (2S,4aS,9aS)-2-(4-chlorophenyl)-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
IUPAC NAME: (2S,4aS,9aS)-2-(4-chlorophenyl)-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2S,4aS,9aS)-2-(4-chlorophenyl)-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C15H18ClNO2
MOLECULAR WEIGHT: 279.76192
SMILES: C1CC[C@H]2[C@H](CC1)O[C@H](NC2=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (4aS,8aS)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-4-one
CAS Name: (4aS,8aS)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-4-one
IUPAC NAME: (4aS,8aS)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (4aS,8aS)-3-methyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: CN1CO[C@H]2CCCC[C@@H]2C1=O
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Product OPENEYE NAME: (3Z)-3-[ethoxy(hydroxy)methylene]-6-hydroxy-chromane-2,4-dione
CAS Name: (3Z)-3-[ethoxy(hydroxy)methylidene]-6-hydroxy-3,4-dihydro-2H-1-benzopyran-2,4-dione
IUPAC NAME: (3Z)-3-[ethoxy(hydroxy)methylidene]-6-hydroxychromene-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[ethoxy(oxidanyl)methylidene]-6-oxidanyl-chromene-2,4-dione
MOLECULAR FORMULA: C12H10O6
MOLECULAR WEIGHT: 250.2042
SMILES: CCO/C(=C\1/C(=O)C2=C(C=CC(=C2)O)OC1=O)/O
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Product OPENEYE NAME: (3Z)-3-[ethoxy(hydroxy)methylene]-7-hydroxy-chromane-2,4-dione
CAS Name: (3Z)-3-[ethoxy(hydroxy)methylidene]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-2,4-dione
IUPAC NAME: (3Z)-3-[ethoxy(hydroxy)methylidene]-7-hydroxychromene-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[ethoxy(oxidanyl)methylidene]-7-oxidanyl-chromene-2,4-dione
MOLECULAR FORMULA: C12H10O6
MOLECULAR WEIGHT: 250.2042
SMILES: CCO/C(=C\1/C(=O)C2=C(C=C(C=C2)O)OC1=O)/O
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Product OPENEYE NAME: (3Z)-3-[ethoxy(hydroxy)methylene]-8-hydroxy-chromane-2,4-dione
CAS Name: (3Z)-3-[ethoxy(hydroxy)methylidene]-8-hydroxy-3,4-dihydro-2H-1-benzopyran-2,4-dione
IUPAC NAME: (3Z)-3-[ethoxy(hydroxy)methylidene]-8-hydroxychromene-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[ethoxy(oxidanyl)methylidene]-8-oxidanyl-chromene-2,4-dione
MOLECULAR FORMULA: C12H10O6
MOLECULAR WEIGHT: 250.2042
SMILES: CCO/C(=C\1/C(=O)C2=C(C(=CC=C2)O)OC1=O)/O
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Product OPENEYE NAME: ethoxycarbonyl 2,4-diacetoxybenzoate
CAS Name: 2,4-diacetyloxybenzoic acid ethoxycarbonyl ester
IUPAC NAME: ethoxycarbonyl 2,4-diacetyloxybenzoate
SYSTEMATIC NAME: ethoxycarbonyl 2,4-diacetyloxybenzoate
MOLECULAR FORMULA: C14H14O8
MOLECULAR WEIGHT: 310.25616
SMILES: CCOC(=O)OC(=O)C1=C(C=C(C=C1)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: ethoxycarbonyl 2,3-diacetoxybenzoate
CAS Name: 2,3-diacetyloxybenzoic acid ethoxycarbonyl ester
IUPAC NAME: ethoxycarbonyl 2,3-diacetyloxybenzoate
SYSTEMATIC NAME: ethoxycarbonyl 2,3-diacetyloxybenzoate
MOLECULAR FORMULA: C14H14O8
MOLECULAR WEIGHT: 310.25616
SMILES: CCOC(=O)OC(=O)C1=C(C(=CC=C1)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: diethyl 2-(2,3-diacetoxybenzoyl)propanedioate
CAS Name: 2-[(2,3-diacetyloxyphenyl)-oxomethyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-(2,3-diacetyloxybenzoyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(2,3-diacetyloxyphenyl)carbonylpropanedioate
MOLECULAR FORMULA: C18H20O9
MOLECULAR WEIGHT: 380.346
SMILES: CCOC(=O)C(C(=O)C1=C(C(=CC=C1)OC(=O)C)OC(=O)C)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-(2,5-diacetoxybenzoyl)propanedioate
CAS Name: 2-[(2,5-diacetyloxyphenyl)-oxomethyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-(2,5-diacetyloxybenzoyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(2,5-diacetyloxyphenyl)carbonylpropanedioate
MOLECULAR FORMULA: C18H20O9
MOLECULAR WEIGHT: 380.346
SMILES: CCOC(=O)C(C(=O)C1=C(C=CC(=C1)OC(=O)C)OC(=O)C)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-(2,4-diacetoxybenzoyl)propanedioate
CAS Name: 2-[(2,4-diacetyloxyphenyl)-oxomethyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-(2,4-diacetyloxybenzoyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(2,4-diacetyloxyphenyl)carbonylpropanedioate
MOLECULAR FORMULA: C18H20O9
MOLECULAR WEIGHT: 380.346
SMILES: CCOC(=O)C(C(=O)C1=C(C=C(C=C1)OC(=O)C)OC(=O)C)C(=O)OCC
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Product OPENEYE NAME: (7E)-3-(2-bromophenyl)-7-[(2-bromophenyl)methylene]-2,3,3a,4,5,6-hexahydroindazole
CAS Name: (7E)-3-(2-bromophenyl)-7-[(2-bromophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
IUPAC NAME: (7E)-3-(2-bromophenyl)-7-[(2-bromophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
SYSTEMATIC NAME: (7E)-3-(2-bromophenyl)-7-[(2-bromophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
MOLECULAR FORMULA: C20H18Br2N2
MOLECULAR WEIGHT: 446.17832
SMILES: C1CC2C(NN=C2/C(=C/C3=CC=CC=C3Br)/C1)C4=CC=CC=C4Br
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Product OPENEYE NAME: (7E)-3-(p-tolyl)-7-(p-tolylmethylene)-2,3,3a,4,5,6-hexahydroindazole
CAS Name: (7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
IUPAC NAME: (7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
SYSTEMATIC NAME: (7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
MOLECULAR FORMULA: C22H24N2
MOLECULAR WEIGHT: 316.43936
SMILES: CC1=CC=C(C=C1)/C=C/2\CCCC3C2=NNC3C4=CC=C(C=C4)C
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Product OPENEYE NAME: (7E)-3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methylene]-2,3,3a,4,5,6-hexahydroindazole
CAS Name: (7E)-3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
IUPAC NAME: (7E)-3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
SYSTEMATIC NAME: (7E)-3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
MOLECULAR FORMULA: C22H24N2O2
MOLECULAR WEIGHT: 348.43816
SMILES: COC1=CC=CC=C1/C=C/2\CCCC3C2=NNC3C4=CC=CC=C4OC
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Product OPENEYE NAME: (7E)-3-(2-chlorophenyl)-7-[(2-chlorophenyl)methylene]-2,3,3a,4,5,6-hexahydroindazole
CAS Name: (7E)-3-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
IUPAC NAME: (7E)-3-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
SYSTEMATIC NAME: (7E)-3-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
MOLECULAR FORMULA: C20H18Cl2N2
MOLECULAR WEIGHT: 357.27632
SMILES: C1CC2C(NN=C2/C(=C/C3=CC=CC=C3Cl)/C1)C4=CC=CC=C4Cl
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Product OPENEYE NAME: (7E)-3-(o-tolyl)-7-(o-tolylmethylene)-2,3,3a,4,5,6-hexahydroindazole
CAS Name: (7E)-3-(2-methylphenyl)-7-[(2-methylphenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
IUPAC NAME: (7E)-3-(2-methylphenyl)-7-[(2-methylphenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
SYSTEMATIC NAME: (7E)-3-(2-methylphenyl)-7-[(2-methylphenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
MOLECULAR FORMULA: C22H24N2
MOLECULAR WEIGHT: 316.43936
SMILES: CC1=CC=CC=C1/C=C/2\CCCC3C2=NNC3C4=CC=CC=C4C
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Product OPENEYE NAME: 4-methyl-2-[(Z)-2-(2-naphthyl)vinyl]thiophene
CAS Name: 4-methyl-2-[(Z)-2-(2-naphthalenyl)ethenyl]thiophene
IUPAC NAME: 4-methyl-2-[(Z)-2-naphthalen-2-ylethenyl]thiophene
SYSTEMATIC NAME: 4-methyl-2-[(Z)-2-naphthalen-2-ylethenyl]thiophene
MOLECULAR FORMULA: C17H14S
MOLECULAR WEIGHT: 250.35806
SMILES: CC1=CSC(=C1)/C=C\C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 1-methylnaphtho[1,2-e]benzothiophene
CAS Name: 1-methylnaphtho[1,2-e][1]benzothiole
IUPAC NAME: 1-methylnaphtho[1,2-e][1]benzothiole
SYSTEMATIC NAME: 1-methylnaphtho[1,2-e][1]benzothiole
MOLECULAR FORMULA: C17H12S
MOLECULAR WEIGHT: 248.34218
SMILES: CC1=CSC2=C1C3=C(C=CC4=CC=CC=C43)C=C2
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H19N3O
MOLECULAR WEIGHT: 305.37366
SMILES: CN1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=C2C=CN=C4
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