Saturday, June 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetonitrile
CAS Name: 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetonitrile
IUPAC NAME: 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetonitrile
SYSTEMATIC NAME: 2-[4-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenoxy]ethanenitrile
MOLECULAR FORMULA: C14H15N3O2
MOLECULAR WEIGHT: 257.2878
SMILES: CC(=O)N1CN(C=C1)CC2=CC=C(C=C2)OCC#N
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Product OPENEYE NAME: 2-[4-(bromomethyl)phenyl]sulfanyl-2-methyl-propanoic acid
CAS Name: 2-[[4-(bromomethyl)phenyl]thio]-2-methylpropanoic acid
IUPAC NAME: 2-[4-(bromomethyl)phenyl]sulfanyl-2-methylpropanoic acid
SYSTEMATIC NAME: 2-[4-(bromomethyl)phenyl]sulfanyl-2-methyl-propanoic acid
MOLECULAR FORMULA: C11H13BrO2S
MOLECULAR WEIGHT: 289.18872
SMILES: CC(C)(C(=O)O)SC1=CC=C(C=C1)CBr
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Product OPENEYE NAME: 4-(2-iodoethoxy)benzoic acid
CAS Name: 4-(2-iodoethoxy)benzoic acid
IUPAC NAME: 4-(2-iodoethoxy)benzoic acid
SYSTEMATIC NAME: 4-(2-iodanylethoxy)benzoic acid
MOLECULAR FORMULA: C9H9IO3
MOLECULAR WEIGHT: 292.07043
SMILES: C1=CC(=CC=C1C(=O)O)OCCI
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Product OPENEYE NAME: 2-[4-(chloromethyl)phenoxy]propanoic acid
CAS Name: 2-[4-(chloromethyl)phenoxy]propanoic acid
IUPAC NAME: 2-[4-(chloromethyl)phenoxy]propanoic acid
SYSTEMATIC NAME: 2-[4-(chloromethyl)phenoxy]propanoic acid
MOLECULAR FORMULA: C10H11ClO3
MOLECULAR WEIGHT: 214.64554
SMILES: CC(C(=O)O)OC1=CC=C(C=C1)CCl
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Product OPENEYE NAME: ethyl 4-[3-(3-acetyl-2H-imidazol-1-yl)propoxy]benzoate iodide
CAS Name: 4-[3-(3-acetyl-2H-imidazol-1-yl)propoxy]benzoic acid ethyl ester iodide
IUPAC NAME: ethyl 4-[3-(3-acetyl-2H-imidazol-1-yl)propoxy]benzoate iodide
SYSTEMATIC NAME: ethyl 4-[3-(3-ethanoyl-2H-imidazol-1-yl)propoxy]benzoate iodide
MOLECULAR FORMULA: C17H22IN2O4-
MOLECULAR WEIGHT: 445.27205
SMILES: CCOC(=O)C1=CC=C(C=C1)OCCCN2CN(C=C2)C(=O)C.[I-]
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Product OPENEYE NAME: ethyl 4-[3-(3-acetyl-2H-imidazol-1-yl)propoxy]benzoate
CAS Name: 4-[3-(3-acetyl-2H-imidazol-1-yl)propoxy]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[3-(3-acetyl-2H-imidazol-1-yl)propoxy]benzoate
SYSTEMATIC NAME: ethyl 4-[3-(3-ethanoyl-2H-imidazol-1-yl)propoxy]benzoate
MOLECULAR FORMULA: C17H22N2O4
MOLECULAR WEIGHT: 318.36758
SMILES: CCOC(=O)C1=CC=C(C=C1)OCCCN2CN(C=C2)C(=O)C
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Product OPENEYE NAME: ethyl 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenyl]sulfanyl-2-methyl-propanoate bromide
CAS Name: 2-[[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenyl]thio]-2-methylpropanoic acid ethyl ester bromide
IUPAC NAME: ethyl 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenyl]sulfanyl-2-methylpropanoate bromide
SYSTEMATIC NAME: ethyl 2-[4-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenyl]sulfanyl-2-methyl-propanoate bromide
MOLECULAR FORMULA: C18H24BrN2O3S-
MOLECULAR WEIGHT: 428.36376
SMILES: CCOC(=O)C(C)(C)SC1=CC=C(C=C1)CN2CN(C=C2)C(=O)C.[Br-]
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Product OPENEYE NAME: ethyl 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenyl]sulfanyl-2-methyl-propanoate
CAS Name: 2-[[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenyl]thio]-2-methylpropanoic acid ethyl ester
IUPAC NAME: ethyl 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenyl]sulfanyl-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-[4-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenyl]sulfanyl-2-methyl-propanoate
MOLECULAR FORMULA: C18H24N2O3S
MOLECULAR WEIGHT: 348.45976
SMILES: CCOC(=O)C(C)(C)SC1=CC=C(C=C1)CN2CN(C=C2)C(=O)C
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Product OPENEYE NAME: 2-[2-(bromomethyl)-4-chloro-phenoxy]acetic acid
CAS Name: 2-[2-(bromomethyl)-4-chlorophenoxy]acetic acid
IUPAC NAME: 2-[2-(bromomethyl)-4-chlorophenoxy]acetic acid
SYSTEMATIC NAME: 2-[2-(bromomethyl)-4-chloranyl-phenoxy]ethanoic acid
MOLECULAR FORMULA: C9H8BrClO3
MOLECULAR WEIGHT: 279.51502
SMILES: C1=CC(=C(C=C1Cl)CBr)OCC(=O)O
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Product OPENEYE NAME: 2-[4-(iodomethyl)phenyl]sulfanyl-2-methyl-propanoic acid
CAS Name: 2-[[4-(iodomethyl)phenyl]thio]-2-methylpropanoic acid
IUPAC NAME: 2-[4-(iodomethyl)phenyl]sulfanyl-2-methylpropanoic acid
SYSTEMATIC NAME: 2-[4-(iodanylmethyl)phenyl]sulfanyl-2-methyl-propanoic acid
MOLECULAR FORMULA: C11H13IO2S
MOLECULAR WEIGHT: 336.18919
SMILES: CC(C)(C(=O)O)SC1=CC=C(C=C1)CI
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Product OPENEYE NAME: 4-[2-(p-tolylsulfonyloxy)ethoxy]benzoic acid
CAS Name: 4-[2-(4-methylphenyl)sulfonyloxyethoxy]benzoic acid
IUPAC NAME: 4-[2-(4-methylphenyl)sulfonyloxyethoxy]benzoic acid
SYSTEMATIC NAME: 4-[2-(4-methylphenyl)sulfonyloxyethoxy]benzoic acid
MOLECULAR FORMULA: C16H16O6S
MOLECULAR WEIGHT: 336.35964
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)C(=O)O
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Product OPENEYE NAME: ethyl 2-[2-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetate bromide
CAS Name: 2-[2-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetic acid ethyl ester bromide
IUPAC NAME: ethyl 2-[2-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetate bromide
SYSTEMATIC NAME: ethyl 2-[2-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenoxy]ethanoate bromide
MOLECULAR FORMULA: C16H20BrN2O4-
MOLECULAR WEIGHT: 384.245
SMILES: CCOC(=O)COC1=CC=CC=C1CN2CN(C=C2)C(=O)C.[Br-]
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Product OPENEYE NAME: ethyl 2-[2-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetate
CAS Name: 2-[2-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[2-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetate
SYSTEMATIC NAME: ethyl 2-[2-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenoxy]ethanoate
MOLECULAR FORMULA: C16H20N2O4
MOLECULAR WEIGHT: 304.341
SMILES: CCOC(=O)COC1=CC=CC=C1CN2CN(C=C2)C(=O)C
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Product OPENEYE NAME: 4-[3-(p-tolylsulfonyloxy)propoxy]benzoic acid
CAS Name: 4-[3-(4-methylphenyl)sulfonyloxypropoxy]benzoic acid
IUPAC NAME: 4-[3-(4-methylphenyl)sulfonyloxypropoxy]benzoic acid
SYSTEMATIC NAME: 4-[3-(4-methylphenyl)sulfonyloxypropoxy]benzoic acid
MOLECULAR FORMULA: C17H18O6S
MOLECULAR WEIGHT: 350.38622
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=CC=C(C=C2)C(=O)O
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Product OPENEYE NAME: 3-[4-(2-bromoethoxy)phenyl]propanoic acid
CAS Name: 3-[4-(2-bromoethoxy)phenyl]propanoic acid
IUPAC NAME: 3-[4-(2-bromoethoxy)phenyl]propanoic acid
SYSTEMATIC NAME: 3-[4-(2-bromoethyloxy)phenyl]propanoic acid
MOLECULAR FORMULA: C11H13BrO3
MOLECULAR WEIGHT: 273.12312
SMILES: C1=CC(=CC=C1CCC(=O)O)OCCBr
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Product OPENEYE NAME: 4-[2-(3-acetylimidazol-1-ium-1-yl)ethoxy]benzonitrile; ethyl 4-[3-(3-acetylimidazol-1-ium-1-yl)propoxy]benzoate; diiodide
CAS Name: 4-[2-(3-acetyl-1-imidazol-1-iumyl)ethoxy]benzonitrile; 4-[3-(3-acetyl-1-imidazol-1-iumyl)propoxy]benzoic acid ethyl ester; diiodide
IUPAC NAME: 4-[2-(3-acetylimidazol-1-ium-1-yl)ethoxy]benzonitrile; ethyl 4-[3-(3-acetylimidazol-1-ium-1-yl)propoxy]benzoate; diiodide
SYSTEMATIC NAME: 4-[2-(3-ethanoylimidazol-1-ium-1-yl)ethoxy]benzenecarbonitrile; ethyl 4-[3-(3-ethanoylimidazol-1-ium-1-yl)propoxy]benzoate; diiodide
MOLECULAR FORMULA: C31H35I2N5O6
MOLECULAR WEIGHT: 827.44844
SMILES: CCOC(=O)C1=CC=C(C=C1)OCCC[N+]2=CN(C=C2)C(=O)C.CC(=O)N1C=C[N+](=C1)CCOC2=CC=C(C=C2)C#N.[I-].[I-]
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Product OPENEYE NAME: 4-[2-(3-acetylimidazol-1-ium-1-yl)ethoxy]benzonitrile
CAS Name: 4-[2-(3-acetyl-1-imidazol-1-iumyl)ethoxy]benzonitrile
IUPAC NAME: 4-[2-(3-acetylimidazol-1-ium-1-yl)ethoxy]benzonitrile
SYSTEMATIC NAME: 4-[2-(3-ethanoylimidazol-1-ium-1-yl)ethoxy]benzenecarbonitrile
MOLECULAR FORMULA: C14H14N3O2+
MOLECULAR WEIGHT: 256.27986
SMILES: CC(=O)N1C=C[N+](=C1)CCOC2=CC=C(C=C2)C#N
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