Tuesday, October 25, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-butoxyethyl 4-[2-[3-(1,2-dihydroxyethyl)-1,2,3-trihydroxy-4-(p-tolyl)cyclobutyl]-2-hydroxy-vinyl]benzoate
CAS Name: 4-[2-[3-(1,2-dihydroxyethyl)-1,2,3-trihydroxy-4-(4-methylphenyl)cyclobutyl]-2-hydroxyethenyl]benzoic acid 2-butoxyethyl ester
IUPAC NAME: 2-butoxyethyl 4-[2-[3-(1,2-dihydroxyethyl)-1,2,3-trihydroxy-4-(4-methylphenyl)cyclobutyl]-2-hydroxyethenyl]benzoate
SYSTEMATIC NAME: 2-butoxyethyl 4-[2-[3-[1,2-bis(oxidanyl)ethyl]-2-(4-methylphenyl)-1,3,4-tris(oxidanyl)cyclobutyl]-2-oxidanyl-ethenyl]benzoate
MOLECULAR FORMULA: C28H36O9
MOLECULAR WEIGHT: 516.58004
SMILES: CCCCOCCOC(=O)C1=CC=C(C=C1)C=C(C2(C(C(C2O)(C(CO)O)O)C3=CC=C(C=C3)C)O)O
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Product OPENEYE NAME: 4-(dimethoxymethyl)-N,N-bis(2-hydroxyethyl)benzamide
CAS Name: 4-(dimethoxymethyl)-N,N-bis(2-hydroxyethyl)benzamide
IUPAC NAME: 4-(dimethoxymethyl)-N,N-bis(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 4-(dimethoxymethyl)-N,N-bis(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C14H21NO5
MOLECULAR WEIGHT: 283.32024
SMILES: COC(C1=CC=C(C=C1)C(=O)N(CCO)CCO)OC
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Product OPENEYE NAME: 4-(dimethoxymethyl)-N-(2-hydroxyethyl)benzamide
CAS Name: 4-(dimethoxymethyl)-N-(2-hydroxyethyl)benzamide
IUPAC NAME: 4-(dimethoxymethyl)-N-(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 4-(dimethoxymethyl)-N-(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: COC(C1=CC=C(C=C1)C(=O)NCCO)OC
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Product OPENEYE NAME: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]-N-(2-hydroxyethyl)benzamide
CAS Name: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]-N-(2-hydroxyethyl)benzamide
IUPAC NAME: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]-N-(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 4-[(E)-2,3,4,5,6,7-hexakis(oxidanyl)hept-1-enyl]-N-(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C16H23NO8
MOLECULAR WEIGHT: 357.35572
SMILES: C1=CC(=CC=C1/C=C(\C(C(C(C(CO)O)O)O)O)/O)C(=O)NCCO
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Product OPENEYE NAME: N-(1-ethyldecyl)hydroxylamine
CAS Name: N-dodecan-3-ylhydroxylamine
IUPAC NAME: N-dodecan-3-ylhydroxylamine
SYSTEMATIC NAME: N-dodecan-3-ylhydroxylamine
MOLECULAR FORMULA: C12H27NO
MOLECULAR WEIGHT: 201.34888
SMILES: CCCCCCCCCC(CC)NO
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Product OPENEYE NAME: 2-ethoxyethyl 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoate
CAS Name: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoic acid 2-ethoxyethyl ester
IUPAC NAME: 2-ethoxyethyl 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoate
SYSTEMATIC NAME: 2-ethoxyethyl 4-[(E)-2,3,4,5,6,7-hexakis(oxidanyl)hept-1-enyl]benzoate
MOLECULAR FORMULA: C18H26O9
MOLECULAR WEIGHT: 386.39364
SMILES: CCOCCOC(=O)C1=CC=C(C=C1)/C=C(\C(C(C(C(CO)O)O)O)O)/O
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Product OPENEYE NAME: 1-(1,2-dihydroxyethyl)-3-[(Z)-1-hydroxy-2-phenyl-vinyl]-4-(p-tolyl)cyclobutane-1,2,3-triol
CAS Name: 1-(1,2-dihydroxyethyl)-3-[(Z)-1-hydroxy-2-phenylethenyl]-4-(4-methylphenyl)cyclobutane-1,2,3-triol
IUPAC NAME: 1-(1,2-dihydroxyethyl)-3-[(Z)-1-hydroxy-2-phenylethenyl]-4-(4-methylphenyl)cyclobutane-1,2,3-triol
SYSTEMATIC NAME: 1-[1,2-bis(oxidanyl)ethyl]-4-(4-methylphenyl)-3-[(Z)-1-oxidanyl-2-phenyl-ethenyl]cyclobutane-1,2,3-triol
MOLECULAR FORMULA: C21H24O6
MOLECULAR WEIGHT: 372.41166
SMILES: CC1=CC=C(C=C1)C2C(C(C2(/C(=C/C3=CC=CC=C3)/O)O)O)(C(CO)O)O
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Product OPENEYE NAME: N-decyl-4-(dimethoxymethyl)-N-(2-hydroxyethyl)benzamide
CAS Name: N-decyl-4-(dimethoxymethyl)-N-(2-hydroxyethyl)benzamide
IUPAC NAME: N-decyl-4-(dimethoxymethyl)-N-(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: N-decyl-4-(dimethoxymethyl)-N-(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C22H37NO4
MOLECULAR WEIGHT: 379.53348
SMILES: CCCCCCCCCCN(CCO)C(=O)C1=CC=C(C=C1)C(OC)OC
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Product OPENEYE NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-(dimethoxymethyl)benzoate
CAS Name: 4-(dimethoxymethyl)benzoic acid 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester
IUPAC NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-(dimethoxymethyl)benzoate
SYSTEMATIC NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-(dimethoxymethyl)benzoate
MOLECULAR FORMULA: C17H26O7
MOLECULAR WEIGHT: 342.38414
SMILES: COCCOCCOCCOC(=O)C1=CC=C(C=C1)C(OC)OC
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Product OPENEYE NAME: N-decyl-4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]-N-(2-hydroxyethyl)benzamide
CAS Name: N-decyl-4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]-N-(2-hydroxyethyl)benzamide
IUPAC NAME: N-decyl-4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]-N-(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: N-decyl-4-[(E)-2,3,4,5,6,7-hexakis(oxidanyl)hept-1-enyl]-N-(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C26H43NO8
MOLECULAR WEIGHT: 497.62152
SMILES: CCCCCCCCCCN(CCO)C(=O)C1=CC=C(C=C1)/C=C(\C(C(C(C(CO)O)O)O)O)/O
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Product OPENEYE NAME: hexyl 4-(dimethoxymethyl)benzoate
CAS Name: 4-(dimethoxymethyl)benzoic acid hexyl ester
IUPAC NAME: hexyl 4-(dimethoxymethyl)benzoate
SYSTEMATIC NAME: hexyl 4-(dimethoxymethyl)benzoate
MOLECULAR FORMULA: C16H24O4
MOLECULAR WEIGHT: 280.35936
SMILES: CCCCCCOC(=O)C1=CC=C(C=C1)C(OC)OC
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Product OPENEYE NAME: 2-butoxyethyl 4-formylbenzoate
CAS Name: 4-formylbenzoic acid 2-butoxyethyl ester
IUPAC NAME: 2-butoxyethyl 4-formylbenzoate
SYSTEMATIC NAME: 2-butoxyethyl 4-methanoylbenzoate
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: CCCCOCCOC(=O)C1=CC=C(C=C1)C=O
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Product OPENEYE NAME: 4-[2-[2-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-3-(1,2-dihydroxyethyl)-1,3,4-trihydroxy-cyclobutyl]-2-hydroxy-vinyl]-N-(2-hydroxyethyl)benzamide
CAS Name: 4-[2-[2-[4-[[bis(2-hydroxyethyl)amino]-oxomethyl]phenyl]-3-(1,2-dihydroxyethyl)-1,3,4-trihydroxycyclobutyl]-2-hydroxyethenyl]-N-(2-hydroxyethyl)benzamide
IUPAC NAME: 4-[2-[2-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-3-(1,2-dihydroxyethyl)-1,3,4-trihydroxycyclobutyl]-2-hydroxyethenyl]-N-(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 4-[2-[2-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-3-[1,2-bis(oxidanyl)ethyl]-1,3,4-tris(oxidanyl)cyclobutyl]-2-oxidanyl-ethenyl]-N-(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C28H36N2O11
MOLECULAR WEIGHT: 576.59224
SMILES: C1=CC(=CC=C1C=C(C2(C(C(C2O)(C(CO)O)O)C3=CC=C(C=C3)C(=O)N(CCO)CCO)O)O)C(=O)NCCO
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Product OPENEYE NAME: 2-butoxyethyl 4-(dimethoxymethyl)benzoate
CAS Name: 4-(dimethoxymethyl)benzoic acid 2-butoxyethyl ester
IUPAC NAME: 2-butoxyethyl 4-(dimethoxymethyl)benzoate
SYSTEMATIC NAME: 2-butoxyethyl 4-(dimethoxymethyl)benzoate
MOLECULAR FORMULA: C16H24O5
MOLECULAR WEIGHT: 296.35876
SMILES: CCCCOCCOC(=O)C1=CC=C(C=C1)C(OC)OC
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Product OPENEYE NAME: 3-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carbothioate
CAS Name: 3-(4,6-dimethoxy-2-pyrimidinyl)-2-pyridinecarbothioate
IUPAC NAME: 3-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carbothioate
SYSTEMATIC NAME: 3-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carbothioate
MOLECULAR FORMULA: C12H10N3O3S-
MOLECULAR WEIGHT: 276.2911
SMILES: COC1=CC(=NC(=N1)C2=C(N=CC=C2)C(=S)[O-])OC
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Product OPENEYE NAME: 3-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carbothioic S-acid
CAS Name: 3-(4,6-dimethoxy-2-pyrimidinyl)-2-pyridinecarbothioic S-acid
IUPAC NAME: 3-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carbothioic S-acid
SYSTEMATIC NAME: 3-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carbothioic S-acid
MOLECULAR FORMULA: C12H11N3O3S
MOLECULAR WEIGHT: 277.29904
SMILES: COC1=CC(=NC(=N1)C2=C(N=CC=C2)C(=O)S)OC
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Product OPENEYE NAME: calcium 1-(4,5-dimethoxypyrimidin-2-yl)oxy-4-(dimethylamino)-2H-pyrimidine-2-carboxylate
CAS Name: calcium 1-[(4,5-dimethoxy-2-pyrimidinyl)oxy]-4-(dimethylamino)-2H-pyrimidine-2-carboxylate
IUPAC NAME: calcium 1-(4,5-dimethoxypyrimidin-2-yl)oxy-4-(dimethylamino)-2H-pyrimidine-2-carboxylate
SYSTEMATIC NAME: calcium 1-(4,5-dimethoxypyrimidin-2-yl)oxy-4-(dimethylamino)-2H-pyrimidine-2-carboxylate
MOLECULAR FORMULA: C26H32CaN10O10
MOLECULAR WEIGHT: 684.67128
SMILES: CN(C)C1=NC(N(C=C1)OC2=NC=C(C(=N2)OC)OC)C(=O)[O-].CN(C)C1=NC(N(C=C1)OC2=NC=C(C(=N2)OC)OC)C(=O)[O-].[Ca+2]
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