Sunday, August 4, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1,4-diallyloxy-1,4-dioxo-butane-2-sulfonic acid
CAS Name: 1,4-dioxo-1,4-bis(prop-2-enoxy)-2-butanesulfonic acid
IUPAC NAME: 1,4-dioxo-1,4-bis(prop-2-enoxy)butane-2-sulfonic acid
SYSTEMATIC NAME: 1,4-bis(oxidanylidene)-1,4-bis(prop-2-enoxy)butane-2-sulfonic acid
MOLECULAR FORMULA: C10H14O7S
MOLECULAR WEIGHT: 278.27896
SMILES: C=CCOC(=O)CC(C(=O)OCC=C)S(=O)(=O)O
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Product OPENEYE NAME: 3,7-dihydroanthracene-2,6,9,10-tetrone
CAS Name: 3,7-dihydroanthracene-2,6,9,10-tetrone
IUPAC NAME: 3,7-dihydroanthracene-2,6,9,10-tetrone
SYSTEMATIC NAME: 3,7-dihydroanthracene-2,6,9,10-tetrone
MOLECULAR FORMULA: C14H8O4
MOLECULAR WEIGHT: 240.21092
SMILES: C1C=C2C(=CC1=O)C(=O)C3=CCC(=O)C=C3C2=O
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Product OPENEYE NAME: ethenesulfonic acid; 2-vinylbenzenesulfonic acid
CAS Name: ethenesulfonic acid; 2-ethenylbenzenesulfonic acid
IUPAC NAME: ethenesulfonic acid; 2-ethenylbenzenesulfonic acid
SYSTEMATIC NAME: ethenesulfonic acid; 2-ethenylbenzenesulfonic acid
MOLECULAR FORMULA: C10H12O6S2
MOLECULAR WEIGHT: 292.32868
SMILES: C=CC1=CC=CC=C1S(=O)(=O)O.C=CS(=O)(=O)O
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Product OPENEYE NAME: prop-2-enenitrile; 2-vinylbenzenesulfonic acid
CAS Name: 2-ethenylbenzenesulfonic acid; 2-propenenitrile
IUPAC NAME: 2-ethenylbenzenesulfonic acid; prop-2-enenitrile
SYSTEMATIC NAME: 2-ethenylbenzenesulfonic acid; prop-2-enenitrile
MOLECULAR FORMULA: C11H11NO3S
MOLECULAR WEIGHT: 237.27494
SMILES: C=CC#N.C=CC1=CC=CC=C1S(=O)(=O)O
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Product OPENEYE NAME: prop-2-enal; 2-vinylbenzenesulfonic acid
CAS Name: 2-ethenylbenzenesulfonic acid; 2-propenal
IUPAC NAME: 2-ethenylbenzenesulfonic acid; prop-2-enal
SYSTEMATIC NAME: 2-ethenylbenzenesulfonic acid; prop-2-enal
MOLECULAR FORMULA: C11H12O4S
MOLECULAR WEIGHT: 240.27558
SMILES: C=CC=O.C=CC1=CC=CC=C1S(=O)(=O)O
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Product OPENEYE NAME: 1-vinyloxybutane; vinyloxyethane
CAS Name: 1-ethenoxybutane; ethenoxyethane
IUPAC NAME: 1-ethenoxybutane; ethenoxyethane
SYSTEMATIC NAME: 1-ethenoxybutane; ethenoxyethane
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CCCCOC=C.CCOC=C
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Product OPENEYE NAME: 3-(prop-2-enoylamino)butane-2-sulfonic acid
CAS Name: 3-(1-oxoprop-2-enylamino)-2-butanesulfonic acid
IUPAC NAME: 3-(prop-2-enoylamino)butane-2-sulfonic acid
SYSTEMATIC NAME: 3-(prop-2-enoylamino)butane-2-sulfonic acid
MOLECULAR FORMULA: C7H13NO4S
MOLECULAR WEIGHT: 207.24742
SMILES: CC(C(C)S(=O)(=O)O)NC(=O)C=C
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Product OPENEYE NAME: 2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid 2-(2-methyl-1-oxoprop-2-enoxy)ethyl ester
IUPAC NAME: 2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: 2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: CC(=C)C(=O)OCCOC(=O)C(C)(C)C
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Product OPENEYE NAME: 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid 1-[1-(2-methyl-1-oxoprop-2-enoxy)ethoxy]ethyl ester
IUPAC NAME: 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C13H22O5
MOLECULAR WEIGHT: 258.31078
SMILES: CC(OC(C)OC(=O)C(C)(C)C)OC(=O)C(=C)C
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Product OPENEYE NAME: 1-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid 1-(2-methyl-1-oxoprop-2-enoxy)ethyl ester
IUPAC NAME: 1-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: 1-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: CC(OC(=O)C(=C)C)OC(=O)C(C)(C)C
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Product OPENEYE NAME: 2-(2-hydroxyethoxy)ethanol; 2-methylprop-2-enoyl 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid (2-methyl-1-oxoprop-2-enyl) ester; 2-(2-hydroxyethoxy)ethanol
IUPAC NAME: 2-(2-hydroxyethoxy)ethanol; 2-methylprop-2-enoyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: 2-(2-hydroxyethyloxy)ethanol; 2-methylprop-2-enoyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C13H24O6
MOLECULAR WEIGHT: 276.32606
SMILES: CC(=C)C(=O)OC(=O)C(C)(C)C.C(COCCO)O
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Product OPENEYE NAME: 2,6-bis(1,1-dimethylhexyl)-4-methyl-phenol
CAS Name: 4-methyl-2,6-bis(2-methylheptan-2-yl)phenol
IUPAC NAME: 4-methyl-2,6-bis(2-methylheptan-2-yl)phenol
SYSTEMATIC NAME: 4-methyl-2,6-bis(2-methylheptan-2-yl)phenol
MOLECULAR FORMULA: C23H40O
MOLECULAR WEIGHT: 332.5631
SMILES: CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C
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Product OPENEYE NAME: 4-[2-carboxy-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]-3,5-bis(3,5-ditert-butyl-4-hydroxy-phenyl)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptanedioic acid
CAS Name: 4-[2-carboxy-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptanedioic acid
IUPAC NAME: 4-[2-carboxy-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptanedioic acid
SYSTEMATIC NAME: 4-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-3,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-oxidanyl-3-oxidanylidene-propyl]heptanedioic acid
MOLECULAR FORMULA: C57H86O12
MOLECULAR WEIGHT: 963.28554
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(CC(=O)O)C(CC(CO)(CO)CO)(C(CC(=O)O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(CC(=O)O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 1-methylcyclohex-2-ene-1-carbaldehyde
CAS Name: 1-methyl-1-cyclohex-2-enecarboxaldehyde
IUPAC NAME: 1-methylcyclohex-2-ene-1-carbaldehyde
SYSTEMATIC NAME: 1-methylcyclohex-2-ene-1-carbaldehyde
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC1(CCCC=C1)C=O
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Product OPENEYE NAME: 2-tert-butyl-6-cyclopentyl-4-methyl-phenol
CAS Name: 2-tert-butyl-6-cyclopentyl-4-methylphenol
IUPAC NAME: 2-tert-butyl-6-cyclopentyl-4-methylphenol
SYSTEMATIC NAME: 2-tert-butyl-6-cyclopentyl-4-methyl-phenol
MOLECULAR FORMULA: C16H24O
MOLECULAR WEIGHT: 232.36116
SMILES: CC1=CC(=C(C(=C1)C2CCCC2)O)C(C)(C)C
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Product OPENEYE NAME: 2-[(2,6-dimethylphenyl)methyl]-4-methyl-phenol
CAS Name: 2-[(2,6-dimethylphenyl)methyl]-4-methylphenol
IUPAC NAME: 2-[(2,6-dimethylphenyl)methyl]-4-methylphenol
SYSTEMATIC NAME: 2-[(2,6-dimethylphenyl)methyl]-4-methyl-phenol
MOLECULAR FORMULA: C16H18O
MOLECULAR WEIGHT: 226.31352
SMILES: CC1=CC(=C(C=C1)O)CC2=C(C=CC=C2C)C
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Product OPENEYE NAME: 2,4-dimethylphenol; norcarane
CAS Name: bicyclo[4.1.0]heptane; 2,4-dimethylphenol
IUPAC NAME: bicyclo[4.1.0]heptane; 2,4-dimethylphenol
SYSTEMATIC NAME: bicyclo[4.1.0]heptane; 2,4-dimethylphenol
MOLECULAR FORMULA: C15H22O
MOLECULAR WEIGHT: 218.33458
SMILES: CC1=CC(=C(C=C1)O)C.C1CCC2CC2C1
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Product OPENEYE NAME: N-(3,3-dioctadecylimidazolidin-3-ium-4-ylidene)acetamide
CAS Name: N-(3,3-dioctadecyl-4-imidazolidin-3-iumylidene)acetamide
IUPAC NAME: N-(3,3-dioctadecylimidazolidin-3-ium-4-ylidene)acetamide
SYSTEMATIC NAME: N-(3,3-dioctadecylimidazolidin-3-ium-4-ylidene)ethanamide
MOLECULAR FORMULA: C41H82N3O+
MOLECULAR WEIGHT: 633.10928
SMILES: CCCCCCCCCCCCCCCCCC[N+]1(CNCC1=NC(=O)C)CCCCCCCCCCCCCCCCCC
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