Thursday, August 15, 2013

All Chemical Compounds Information




Product OPENEYE NAME: sodium 1-(2-methylprop-2-enoyloxy)butane-1-sulfonic acid
CAS Name: sodium 1-(2-methyl-1-oxoprop-2-enoxy)-1-butanesulfonic acid
IUPAC NAME: sodium 1-(2-methylprop-2-enoyloxy)butane-1-sulfonic acid
SYSTEMATIC NAME: sodium 1-(2-methylprop-2-enoyloxy)butane-1-sulfonic acid
MOLECULAR FORMULA: C8H13NaO5S
MOLECULAR WEIGHT: 244.24059
SMILES: CC(=C)C(=O)OC(CC[CH2-])S(=O)(=O)O.[Na+]
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Product OPENEYE NAME: 1-(2-methylprop-2-enoyloxy)butane-1-sulfonic acid
CAS Name: 1-(2-methyl-1-oxoprop-2-enoxy)-1-butanesulfonic acid
IUPAC NAME: 1-(2-methylprop-2-enoyloxy)butane-1-sulfonic acid
SYSTEMATIC NAME: 1-(2-methylprop-2-enoyloxy)butane-1-sulfonic acid
MOLECULAR FORMULA: C8H14O5S
MOLECULAR WEIGHT: 222.25876
SMILES: CCCC(OC(=O)C(=C)C)S(=O)(=O)O
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Product OPENEYE NAME: sodium 2-cyclohexa-1,3-dien-1-ylbenzene-5-ide-1-sulfonic acid
CAS Name: sodium 2-(1-cyclohexa-1,3-dienyl)-1-benzene-5-idesulfonic acid
IUPAC NAME: sodium 2-cyclohexa-1,3-dien-1-ylbenzene-5-ide-1-sulfonic acid
SYSTEMATIC NAME: sodium 2-cyclohexa-1,3-dien-1-ylbenzene-5-ide-1-sulfonic acid
MOLECULAR FORMULA: C12H11NaO3S
MOLECULAR WEIGHT: 258.26871
SMILES: C1CC(=CC=C1)C2=CC=[C-]C=C2S(=O)(=O)O.[Na+]
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Product OPENEYE NAME: 2-cyclohexa-1,3-dien-1-ylbenzenesulfonic acid
CAS Name: 2-(1-cyclohexa-1,3-dienyl)benzenesulfonic acid
IUPAC NAME: 2-cyclohexa-1,3-dien-1-ylbenzenesulfonic acid
SYSTEMATIC NAME: 2-cyclohexa-1,3-dien-1-ylbenzenesulfonic acid
MOLECULAR FORMULA: C12H12O3S
MOLECULAR WEIGHT: 236.28688
SMILES: C1CC(=CC=C1)C2=CC=CC=C2S(=O)(=O)O
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Product OPENEYE NAME: 1-(methoxymethyl)-4-propoxy-benzene
CAS Name: 1-(methoxymethyl)-4-propoxybenzene
IUPAC NAME: 1-(methoxymethyl)-4-propoxybenzene
SYSTEMATIC NAME: 1-(methoxymethyl)-4-propoxy-benzene
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CCCOC1=CC=C(C=C1)COC
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Product OPENEYE NAME: 2-[[3-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane; prop-1-ene
CAS Name: 2-[[3-[[3-(2-oxiranylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane; 1-propene
IUPAC NAME: 2-[[3-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane; prop-1-ene
SYSTEMATIC NAME: 2-[[3-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane; prop-1-ene
MOLECULAR FORMULA: C22H26O4
MOLECULAR WEIGHT: 354.43944
SMILES: CC=C.C1C(O1)COC2=CC=CC(=C2)CC3=CC(=CC=C3)OCC4CO4
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Product OPENEYE NAME: 2-[[3-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CAS Name: 2-[[3-[[3-(2-oxiranylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
IUPAC NAME: 2-[[3-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
SYSTEMATIC NAME: 2-[[3-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
MOLECULAR FORMULA: C19H20O4
MOLECULAR WEIGHT: 312.3597
SMILES: C1C(O1)COC2=CC=CC(=C2)CC3=CC(=CC=C3)OCC4CO4
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Product OPENEYE NAME: 4-(diallylamino)phthalic acid
CAS Name: 4-[bis(prop-2-enyl)amino]phthalic acid
IUPAC NAME: 4-[bis(prop-2-enyl)amino]phthalic acid
SYSTEMATIC NAME: 4-[bis(prop-2-enyl)amino]phthalic acid
MOLECULAR FORMULA: C14H15NO4
MOLECULAR WEIGHT: 261.2732
SMILES: C=CCN(CC=C)C1=CC(=C(C=C1)C(=O)O)C(=O)O
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Product OPENEYE NAME: 4-allyloxycarbonyl-3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]carbonyl-benzoic acid
CAS Name: 3-[[2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propoxy]-oxomethyl]-4-[oxo(prop-2-enoxy)methyl]benzoic acid
IUPAC NAME: 3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]carbonyl-4-prop-2-enoxycarbonylbenzoic acid
SYSTEMATIC NAME: 3-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propoxy]carbonyl-4-prop-2-enoxycarbonyl-benzoic acid
MOLECULAR FORMULA: C19H20O9
MOLECULAR WEIGHT: 392.3567
SMILES: CC(=C)C(=O)OCC(COC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)OCC=C)O
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Product OPENEYE NAME: 3-[2-[[2,4-diallyl-3-[3-(2-carboxyethoxy)-2-(2-methylprop-2-enoyloxymethyl)-3-oxo-propoxy]phenoxy]methyl]-3-(2-methylprop-2-enoyloxy)propanoyl]oxypropanoic acid
CAS Name: 3-[2-[[3-[3-(2-carboxyethoxy)-2-[(2-methyl-1-oxoprop-2-enoxy)methyl]-3-oxopropoxy]-2,4-bis(prop-2-enyl)phenoxy]methyl]-3-(2-methyl-1-oxoprop-2-enoxy)-1-oxopropoxy]propanoic acid
IUPAC NAME: 3-[2-[[3-[3-(2-carboxyethoxy)-2-(2-methylprop-2-enoyloxymethyl)-3-oxopropoxy]-2,4-bis(prop-2-enyl)phenoxy]methyl]-3-(2-methylprop-2-enoyloxy)propanoyl]oxypropanoic acid
SYSTEMATIC NAME: 3-[2-[[3-[3-(3-hydroxy-3-oxopropyloxy)-2-(2-methylprop-2-enoyloxymethyl)-3-oxidanylidene-propoxy]-2,4-bis(prop-2-enyl)phenoxy]methyl]-3-(2-methylprop-2-enoyloxy)propanoyl]oxypropanoic acid
MOLECULAR FORMULA: C34H42O14
MOLECULAR WEIGHT: 674.68888
SMILES: CC(=C)C(=O)OCC(COC1=C(C(=C(C=C1)CC=C)OCC(COC(=O)C(=C)C)C(=O)OCCC(=O)O)CC=C)C(=O)OCCC(=O)O
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Product OPENEYE NAME: 2-allyloxycarbonyl-5-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]carbonyl-benzoic acid
CAS Name: 5-[[2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propoxy]-oxomethyl]-2-[oxo(prop-2-enoxy)methyl]benzoic acid
IUPAC NAME: 5-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]carbonyl-2-prop-2-enoxycarbonylbenzoic acid
SYSTEMATIC NAME: 5-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propoxy]carbonyl-2-prop-2-enoxycarbonyl-benzoic acid
MOLECULAR FORMULA: C19H20O9
MOLECULAR WEIGHT: 392.3567
SMILES: CC(=C)C(=O)OCC(COC(=O)C1=CC(=C(C=C1)C(=O)OCC=C)C(=O)O)O
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Product OPENEYE NAME: 4-[1-[[2,6-diallyl-4-[2-[3,5-diallyl-4-[2-(3-carboxypropanoyloxy)-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]propyl]phenoxy]methyl]-2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxo-butanoic acid
CAS Name: 4-[1-[4-[2-[4-[2-(3-carboxy-1-oxopropoxy)-3-(2-methyl-1-oxoprop-2-enoxy)propoxy]-3,5-bis(prop-2-enyl)phenyl]propyl]-2,6-bis(prop-2-enyl)phenoxy]-3-(2-methyl-1-oxoprop-2-enoxy)propan-2-yl]oxy-4-oxobutanoic acid
IUPAC NAME: 4-[1-[4-[2-[4-[2-(3-carboxypropanoyloxy)-3-(2-methylprop-2-enoyloxy)propoxy]-3,5-bis(prop-2-enyl)phenyl]propyl]-2,6-bis(prop-2-enyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxy-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[1-(2-methylprop-2-enoyloxy)-3-[4-[2-[4-[3-(2-methylprop-2-enoyloxy)-2-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-propoxy]-3,5-bis(prop-2-enyl)phenyl]propyl]-2,6-bis(prop-2-enyl)phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C49H60O14
MOLECULAR WEIGHT: 872.9923
SMILES: CC(CC1=CC(=C(C(=C1)CC=C)OCC(COC(=O)C(=C)C)OC(=O)CCC(=O)O)CC=C)C2=CC(=C(C(=C2)CC=C)OCC(COC(=O)C(=C)C)OC(=O)CCC(=O)O)CC=C
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Product OPENEYE NAME: 3-[2-[[4-allyloxycarbonyl-3-[3-(2-carboxyethoxy)-2-(2-methylprop-2-enoyloxymethyl)-3-oxo-propoxy]carbonyl-benzoyl]oxymethyl]-3-(2-methylprop-2-enoyloxy)propanoyl]oxypropanoic acid
CAS Name: 3-[2-[[[3-[[3-(2-carboxyethoxy)-2-[(2-methyl-1-oxoprop-2-enoxy)methyl]-3-oxopropoxy]-oxomethyl]-4-[oxo(prop-2-enoxy)methyl]phenyl]-oxomethoxy]methyl]-3-(2-methyl-1-oxoprop-2-enoxy)-1-oxopropoxy]propanoic acid
IUPAC NAME: 3-[2-[[3-[3-(2-carboxyethoxy)-2-(2-methylprop-2-enoyloxymethyl)-3-oxopropoxy]carbonyl-4-prop-2-enoxycarbonylbenzoyl]oxymethyl]-3-(2-methylprop-2-enoyloxy)propanoyl]oxypropanoic acid
SYSTEMATIC NAME: 3-[2-[[3-[3-(3-hydroxy-3-oxopropyloxy)-2-(2-methylprop-2-enoyloxymethyl)-3-oxidanylidene-propoxy]carbonyl-4-prop-2-enoxycarbonyl-phenyl]carbonyloxymethyl]-3-(2-methylprop-2-enoyloxy)propanoyl]oxypropanoic acid
MOLECULAR FORMULA: C34H38O18
MOLECULAR WEIGHT: 734.65472
SMILES: CC(=C)C(=O)OCC(COC(=O)C1=CC(=C(C=C1)C(=O)OCC=C)C(=O)OCC(COC(=O)C(=C)C)C(=O)OCCC(=O)O)C(=O)OCCC(=O)O
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Product OPENEYE NAME: propyl (Z)-3-allyloxy-2-hydroxy-prop-2-enoate
CAS Name: (Z)-2-hydroxy-3-prop-2-enoxy-2-propenoic acid propyl ester
IUPAC NAME: propyl (Z)-2-hydroxy-3-prop-2-enoxyprop-2-enoate
SYSTEMATIC NAME: propyl (Z)-2-oxidanyl-3-prop-2-enoxy-prop-2-enoate
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: CCCOC(=O)/C(=C/OCC=C)/O
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Product OPENEYE NAME: [2-hydroxy-3-[4-[1-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-3,5-bis(2-methylallyl)phenyl]-1-methyl-ethyl]-2,6-bis(2-methylallyl)phenoxy]propyl] 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid [2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propoxy]-3,5-bis(2-methylprop-2-enyl)phenyl]propan-2-yl]-2,6-bis(2-methylprop-2-enyl)phenoxy]propyl] ester
IUPAC NAME: [2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-3,5-bis(2-methylprop-2-enyl)phenyl]propan-2-yl]-2,6-bis(2-methylprop-2-enyl)phenoxy]propyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [3-[4-[2-[4-[3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propoxy]-3,5-bis(2-methylprop-2-enyl)phenyl]propan-2-yl]-2,6-bis(2-methylprop-2-enyl)phenoxy]-2-oxidanyl-propyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C45H60O8
MOLECULAR WEIGHT: 728.9531
SMILES: CC(=C)CC1=CC(=CC(=C1OCC(COC(=O)C(=C)C)O)CC(=C)C)C(C)(C)C2=CC(=C(C(=C2)CC(=C)C)OCC(COC(=O)C(=C)C)O)CC(=C)C
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Product OPENEYE NAME: 3-[2-[[3-allyloxycarbonyl-4-[3-(2-carboxyethoxy)-2-(2-methylprop-2-enoyloxymethyl)-3-oxo-propoxy]carbonyl-benzoyl]oxymethyl]-3-(2-methylprop-2-enoyloxy)propanoyl]oxypropanoic acid
CAS Name: 3-[2-[[[4-[[3-(2-carboxyethoxy)-2-[(2-methyl-1-oxoprop-2-enoxy)methyl]-3-oxopropoxy]-oxomethyl]-3-[oxo(prop-2-enoxy)methyl]phenyl]-oxomethoxy]methyl]-3-(2-methyl-1-oxoprop-2-enoxy)-1-oxopropoxy]propanoic acid
IUPAC NAME: 3-[2-[[4-[3-(2-carboxyethoxy)-2-(2-methylprop-2-enoyloxymethyl)-3-oxopropoxy]carbonyl-3-prop-2-enoxycarbonylbenzoyl]oxymethyl]-3-(2-methylprop-2-enoyloxy)propanoyl]oxypropanoic acid
SYSTEMATIC NAME: 3-[2-[[4-[3-(3-hydroxy-3-oxopropyloxy)-2-(2-methylprop-2-enoyloxymethyl)-3-oxidanylidene-propoxy]carbonyl-3-prop-2-enoxycarbonyl-phenyl]carbonyloxymethyl]-3-(2-methylprop-2-enoyloxy)propanoyl]oxypropanoic acid
MOLECULAR FORMULA: C34H38O18
MOLECULAR WEIGHT: 734.65472
SMILES: CC(=C)C(=O)OCC(COC(=O)C1=CC(=C(C=C1)C(=O)OCC(COC(=O)C(=C)C)C(=O)OCCC(=O)O)C(=O)OCC=C)C(=O)OCCC(=O)O
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