Monday, September 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-cyclopentylpropan-1-ol; tetrahydropyran-2-yloxy 4-methylbenzenesulfonate
CAS Name: 3-cyclopentyl-1-propanol; 4-methylbenzenesulfonic acid 2-oxanyloxy ester
IUPAC NAME: 3-cyclopentylpropan-1-ol; oxan-2-yloxy 4-methylbenzenesulfonate
SYSTEMATIC NAME: 3-cyclopentylpropan-1-ol; oxan-2-yloxy 4-methylbenzenesulfonate
MOLECULAR FORMULA: C20H32O6S
MOLECULAR WEIGHT: 400.52948
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OOC2CCCCO2.C1CCC(C1)CCCO
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Product OPENEYE NAME: 2-butanoyloxybenzoate
CAS Name: 2-(1-oxobutoxy)benzoate
IUPAC NAME: 2-butanoyloxybenzoate
SYSTEMATIC NAME: 2-butanoyloxybenzoate
MOLECULAR FORMULA: C11H11O4-
MOLECULAR WEIGHT: 207.20264
SMILES: CCCC(=O)OC1=CC=CC=C1C(=O)[O-]
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Product OPENEYE NAME: 4-thioxobutanoyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate
CAS Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylic acid (1-oxo-4-sulfanylidenebutyl) ester
IUPAC NAME: 4-sulfanylidenebutanoyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate
SYSTEMATIC NAME: 4-sulfanylidenebutanoyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate
MOLECULAR FORMULA: C11H8O4S
MOLECULAR WEIGHT: 236.24382
SMILES: C1=CC(=C2C(=C1)O2)C(=O)OC(=O)CCC=S
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Product OPENEYE NAME: 4-cyclopentylbutan-1-ol; tetrahydropyran-2-yloxy 4-methylbenzenesulfonate
CAS Name: 4-cyclopentyl-1-butanol; 4-methylbenzenesulfonic acid 2-oxanyloxy ester
IUPAC NAME: 4-cyclopentylbutan-1-ol; oxan-2-yloxy 4-methylbenzenesulfonate
SYSTEMATIC NAME: 4-cyclopentylbutan-1-ol; oxan-2-yloxy 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H34O6S
MOLECULAR WEIGHT: 414.55606
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OOC2CCCCO2.C1CCC(C1)CCCCO
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Product OPENEYE NAME: 4-cyclopentylbutan-1-ol
CAS Name: 4-cyclopentyl-1-butanol
IUPAC NAME: 4-cyclopentylbutan-1-ol
SYSTEMATIC NAME: 4-cyclopentylbutan-1-ol
MOLECULAR FORMULA: C9H18O
MOLECULAR WEIGHT: 142.23862
SMILES: C1CCC(C1)CCCCO
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Product OPENEYE NAME: 2-(1-ethylsulfanylcyclopentoxy)tetrahydropyran
CAS Name: 2-[1-(ethylthio)cyclopentyl]oxyoxane
IUPAC NAME: 2-(1-ethylsulfanylcyclopentyl)oxyoxane
SYSTEMATIC NAME: 2-(1-ethylsulfanylcyclopentyl)oxyoxane
MOLECULAR FORMULA: C12H22O2S
MOLECULAR WEIGHT: 230.36688
SMILES: CCSC1(CCCC1)OC2CCCCO2
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Product OPENEYE NAME: 4-oxobutanethioyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate
CAS Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylic acid (4-oxo-1-sulfanylidenebutyl) ester
IUPAC NAME: 4-oxobutanethioyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate
SYSTEMATIC NAME: 4-oxidanylidenebutanethioyl 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate
MOLECULAR FORMULA: C11H8O4S
MOLECULAR WEIGHT: 236.24382
SMILES: C1=CC(=C2C(=C1)O2)C(=O)OC(=S)CCC=O
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Product OPENEYE NAME: ethyl 2-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-oxo-cyclopentyl]-3-thioxo-propanoate
CAS Name: 2-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]-3-sulfanylidenepropanoic acid ethyl ester
IUPAC NAME: ethyl 2-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]-3-sulfanylidenepropanoate
SYSTEMATIC NAME: ethyl 2-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]-3-sulfanylidene-propanoate
MOLECULAR FORMULA: C19H24O7S
MOLECULAR WEIGHT: 396.45466
SMILES: CCOC(=O)C(C=S)C1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O
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Product OPENEYE NAME: 2-(cyclopentoxy)tetrahydropyran; propan-1-ol
CAS Name: 2-cyclopentyloxyoxane; 1-propanol
IUPAC NAME: 2-cyclopentyloxyoxane; propan-1-ol
SYSTEMATIC NAME: 2-cyclopentyloxyoxane; propan-1-ol
MOLECULAR FORMULA: C13H26O3
MOLECULAR WEIGHT: 230.34374
SMILES: CCCO.C1CCC(C1)OC2CCCCO2
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Product OPENEYE NAME: 4-hydroxy-2-[(E)-7-hydroxyhept-2-enyl]-3-(2-hydroxy-3-phenoxy-propoxy)cyclopentanone
CAS Name: 4-hydroxy-2-[(E)-7-hydroxyhept-2-enyl]-3-(2-hydroxy-3-phenoxypropoxy)-1-cyclopentanone
IUPAC NAME: 4-hydroxy-2-[(E)-7-hydroxyhept-2-enyl]-3-(2-hydroxy-3-phenoxypropoxy)cyclopentan-1-one
SYSTEMATIC NAME: 4-oxidanyl-2-[(E)-7-oxidanylhept-2-enyl]-3-(2-oxidanyl-3-phenoxy-propoxy)cyclopentan-1-one
MOLECULAR FORMULA: C21H30O6
MOLECULAR WEIGHT: 378.4593
SMILES: C1C(C(C(C1=O)C/C=C/CCCCO)OCC(COC2=CC=CC=C2)O)O
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Product OPENEYE NAME: (E)-7-cyclopentyl-2-oxo-hept-5-enamide
CAS Name: (E)-7-cyclopentyl-2-oxo-5-heptenamide
IUPAC NAME: (E)-7-cyclopentyl-2-oxohept-5-enamide
SYSTEMATIC NAME: (E)-7-cyclopentyl-2-oxidanylidene-hept-5-enamide
MOLECULAR FORMULA: C12H19NO2
MOLECULAR WEIGHT: 209.28476
SMILES: C1CCC(C1)C/C=C/CCC(=O)C(=O)N
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Product OPENEYE NAME: (E)-N-(benzenesulfonyl)-N-cyclopentyl-2-tetrahydropyran-2-yloxy-hept-5-enamide
CAS Name: (E)-N-(benzenesulfonyl)-N-cyclopentyl-2-(2-oxanyloxy)-5-heptenamide
IUPAC NAME: (E)-N-(benzenesulfonyl)-N-cyclopentyl-2-(oxan-2-yloxy)hept-5-enamide
SYSTEMATIC NAME: (E)-N-cyclopentyl-2-(oxan-2-yloxy)-N-(phenylsulfonyl)hept-5-enamide
MOLECULAR FORMULA: C23H33NO5S
MOLECULAR WEIGHT: 435.57682
SMILES: C/C=C/CCC(C(=O)N(C1CCCC1)S(=O)(=O)C2=CC=CC=C2)OC3CCCCO3
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Product OPENEYE NAME: (E)-N-(benzenesulfonyl)-N-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-oxo-cyclopentyl]hept-5-enamide
CAS Name: (E)-N-(benzenesulfonyl)-N-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]-5-heptenamide
IUPAC NAME: (E)-N-(benzenesulfonyl)-N-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]hept-5-enamide
SYSTEMATIC NAME: (E)-N-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]-N-(phenylsulfonyl)hept-5-enamide
MOLECULAR FORMULA: C27H33NO8S
MOLECULAR WEIGHT: 531.61782
SMILES: C/C=C/CCCC(=O)N(C1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3
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