Saturday, July 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid ethyl ester
IUPAC NAME: ethyl 4-hydroxybenzoate
SYSTEMATIC NAME: ethyl 4-oxidanylbenzoate
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CCOC(=O)C1=CC=C(C=C1)O
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Product OPENEYE NAME: S-[2-(diethylamino)ethyl] 4-aminobenzenecarbothioate
CAS Name: 4-aminobenzenecarbothioic acid S-[2-(diethylamino)ethyl] ester
IUPAC NAME: S-[2-(diethylamino)ethyl] 4-aminobenzenecarbothioate
SYSTEMATIC NAME: S-[2-(diethylamino)ethyl] 4-azanylbenzenecarbothioate
MOLECULAR FORMULA: C13H20N2OS
MOLECULAR WEIGHT: 252.3757
SMILES: CCN(CC)CCSC(=O)C1=CC=C(C=C1)N
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Product OPENEYE NAME: 2-(2-benzoyloxyethoxy)ethyl benzoate
CAS Name: benzoic acid 2-(2-benzoyloxyethoxy)ethyl ester
IUPAC NAME: 2-(2-benzoyloxyethoxy)ethyl benzoate
SYSTEMATIC NAME: 2-[2-(phenylcarbonyloxy)ethoxy]ethyl benzoate
MOLECULAR FORMULA: C18H18O5
MOLECULAR WEIGHT: 314.33252
SMILES: C1=CC=C(C=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 1,3-benzodioxole-5-carbaldehyde
CAS Name: 1,3-benzodioxole-5-carboxaldehyde
IUPAC NAME: 1,3-benzodioxole-5-carbaldehyde
SYSTEMATIC NAME: 1,3-benzodioxole-5-carbaldehyde
MOLECULAR FORMULA: C8H6O3
MOLECULAR WEIGHT: 150.13144
SMILES: C1OC2=C(O1)C=C(C=C2)C=O
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Product OPENEYE NAME: 5-prop-1-enyl-1,3-benzodioxole
CAS Name: 5-prop-1-enyl-1,3-benzodioxole
IUPAC NAME: 5-prop-1-enyl-1,3-benzodioxole
SYSTEMATIC NAME: 5-prop-1-enyl-1,3-benzodioxole
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CC=CC1=CC2=C(C=C1)OCO2
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Product OPENEYE NAME: 1,3-benzodioxol-5-yl N-methylcarbamate
CAS Name: N-methylcarbamic acid 1,3-benzodioxol-5-yl ester
IUPAC NAME: 1,3-benzodioxol-5-yl N-methylcarbamate
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl N-methylcarbamate
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: CNC(=O)OC1=CC2=C(C=C1)OCO2
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Product OPENEYE NAME: dimethyl benzene-1,4-dicarboxylate
CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl benzene-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC
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Product OPENEYE NAME: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole
CAS Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole
IUPAC NAME: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole
SYSTEMATIC NAME: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole
MOLECULAR FORMULA: C18H28O3S
MOLECULAR WEIGHT: 324.47812
SMILES: CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2
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Product OPENEYE NAME: N-(o-tolyl)acetamide
CAS Name: N-(2-methylphenyl)acetamide
IUPAC NAME: N-(2-methylphenyl)acetamide
SYSTEMATIC NAME: N-(2-methylphenyl)ethanamide
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1=CC=CC=C1NC(=O)C
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Product OPENEYE NAME: 2-(2,4-dichlorophenoxy)ethanol
CAS Name: 2-(2,4-dichlorophenoxy)ethanol
IUPAC NAME: 2-(2,4-dichlorophenoxy)ethanol
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]ethanol
MOLECULAR FORMULA: C8H8Cl2O2
MOLECULAR WEIGHT: 207.05392
SMILES: C1=CC(=C(C=C1Cl)Cl)OCCO
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Product OPENEYE NAME: 2-methoxy-5-methyl-aniline
CAS Name: 2-methoxy-5-methylaniline
IUPAC NAME: 2-methoxy-5-methylaniline
SYSTEMATIC NAME: 2-methoxy-5-methyl-aniline
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CC1=CC(=C(C=C1)OC)N
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Product OPENEYE NAME: 2-methyl-1,3-benzothiazole
CAS Name: 2-methyl-1,3-benzothiazole
IUPAC NAME: 2-methyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-methyl-1,3-benzothiazole
MOLECULAR FORMULA: C8H7NS
MOLECULAR WEIGHT: 149.21288
SMILES: CC1=NC2=CC=CC=C2S1
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