Friday, August 16, 2013

All Chemical Compounds Information




Product OPENEYE NAME: trimethylsilyl 2-chloro-3,3-dimethyl-butanoate
CAS Name: 2-chloro-3,3-dimethylbutanoic acid trimethylsilyl ester
IUPAC NAME: trimethylsilyl 2-chloro-3,3-dimethylbutanoate
SYSTEMATIC NAME: trimethylsilyl 2-chloranyl-3,3-dimethyl-butanoate
MOLECULAR FORMULA: C9H19ClO2Si
MOLECULAR WEIGHT: 222.78446
SMILES: CC(C)(C)C(C(=O)O[Si](C)(C)C)Cl
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Product OPENEYE NAME: (E)-4-[3,4-dihydroxy-5-[[3-(2-hydroxy-1-methyl-propyl)oxiran-2-yl]methyl]tetrahydropyran-2-yl]-2-fluoro-3-methyl-but-2-enoic acid
CAS Name: (E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)-2-oxiranyl]methyl]-2-oxanyl]-2-fluoro-3-methyl-2-butenoic acid
IUPAC NAME: (E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-fluoro-3-methylbut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[3,4-bis(oxidanyl)-5-[[3-(3-oxidanylbutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-fluoranyl-3-methyl-but-2-enoic acid
MOLECULAR FORMULA: C17H27FO7
MOLECULAR WEIGHT: 362.390483
SMILES: CC(C1C(O1)CC2COC(C(C2O)O)C/C(=C(\C(=O)O)/F)/C)C(C)O
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Product OPENEYE NAME: (3-nitrophenyl)methyl (E)-4-[3,4-dihydroxy-5-[[3-(2-hydroxy-1-methyl-propyl)oxiran-2-yl]methyl]tetrahydropyran-2-yl]-2-fluoro-3-methyl-but-2-enoate
CAS Name: (E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)-2-oxiranyl]methyl]-2-oxanyl]-2-fluoro-3-methyl-2-butenoic acid (3-nitrophenyl)methyl ester
IUPAC NAME: (3-nitrophenyl)methyl (E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-fluoro-3-methylbut-2-enoate
SYSTEMATIC NAME: (3-nitrophenyl)methyl (E)-4-[3,4-bis(oxidanyl)-5-[[3-(3-oxidanylbutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-fluoranyl-3-methyl-but-2-enoate
MOLECULAR FORMULA: C24H32FNO9
MOLECULAR WEIGHT: 497.510583
SMILES: CC(C1C(O1)CC2COC(C(C2O)O)C/C(=C(\C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])/F)/C)C(C)O
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Product OPENEYE NAME: (4-bromo-5-oxo-2H-pyran-2-yl) acetate
CAS Name: acetic acid (4-bromo-5-oxo-2H-pyran-2-yl) ester
IUPAC NAME: (4-bromo-5-oxo-2H-pyran-2-yl) acetate
SYSTEMATIC NAME: (4-bromanyl-5-oxidanylidene-2H-pyran-2-yl) ethanoate
MOLECULAR FORMULA: C7H7BrO4
MOLECULAR WEIGHT: 235.03208
SMILES: CC(=O)OC1C=C(C(=O)CO1)Br
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Product OPENEYE NAME: 4-chloro-2-hydroxy-6-methyl-2H-pyran-5-one
CAS Name: 4-chloro-2-hydroxy-6-methyl-2H-pyran-5-one
IUPAC NAME: 4-chloro-2-hydroxy-6-methyl-2H-pyran-5-one
SYSTEMATIC NAME: 4-chloranyl-6-methyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C6H7ClO3
MOLECULAR WEIGHT: 162.57098
SMILES: CC1C(=O)C(=CC(O1)O)Cl
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Product OPENEYE NAME: 4-bromo-2-[(4-bromo-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-6-methyl-2H-pyran-5-one
CAS Name: 4-bromo-2-[(4-bromo-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-6-methyl-2H-pyran-5-one
IUPAC NAME: 4-bromo-2-[(4-bromo-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-6-methyl-2H-pyran-5-one
SYSTEMATIC NAME: 4-bromanyl-2-[(4-bromanyl-6-methyl-5-oxidanylidene-2H-pyran-2-yl)oxy]-6-methyl-2H-pyran-5-one
MOLECULAR FORMULA: C12H12Br2O5
MOLECULAR WEIGHT: 396.02868
SMILES: CC1C(=O)C(=CC(O1)OC2C=C(C(=O)C(O2)C)Br)Br
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Product OPENEYE NAME: 4-bromo-6-ethyl-2-hydroxy-2H-pyran-5-one
CAS Name: 4-bromo-6-ethyl-2-hydroxy-2H-pyran-5-one
IUPAC NAME: 4-bromo-6-ethyl-2-hydroxy-2H-pyran-5-one
SYSTEMATIC NAME: 4-bromanyl-6-ethyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C7H9BrO3
MOLECULAR WEIGHT: 221.04856
SMILES: CCC1C(=O)C(=CC(O1)O)Br
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Product OPENEYE NAME: 2H-pyran-2-yl 3-chlorobenzoate
CAS Name: 3-chlorobenzoic acid 2H-pyran-2-yl ester
IUPAC NAME: 2H-pyran-2-yl 3-chlorobenzoate
SYSTEMATIC NAME: 2H-pyran-2-yl 3-chloranylbenzoate
MOLECULAR FORMULA: C12H9ClO3
MOLECULAR WEIGHT: 236.65106
SMILES: C1=CC(OC=C1)OC(=O)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 4-bromo-2-hydroxy-6-methyl-2H-pyran-5-one
CAS Name: 4-bromo-2-hydroxy-6-methyl-2H-pyran-5-one
IUPAC NAME: 4-bromo-2-hydroxy-6-methyl-2H-pyran-5-one
SYSTEMATIC NAME: 4-bromanyl-6-methyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C6H7BrO3
MOLECULAR WEIGHT: 207.02198
SMILES: CC1C(=O)C(=CC(O1)O)Br
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Product OPENEYE NAME: 4-chloro-2-hydroxy-2H-pyran-5-one
CAS Name: 4-chloro-2-hydroxy-2H-pyran-5-one
IUPAC NAME: 4-chloro-2-hydroxy-2H-pyran-5-one
SYSTEMATIC NAME: 4-chloranyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C5H5ClO3
MOLECULAR WEIGHT: 148.5444
SMILES: C1C(=O)C(=CC(O1)O)Cl
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Product OPENEYE NAME: 4-bromo-2-hydroxy-2H-pyran-5-one
CAS Name: 4-bromo-2-hydroxy-2H-pyran-5-one
IUPAC NAME: 4-bromo-2-hydroxy-2H-pyran-5-one
SYSTEMATIC NAME: 4-bromanyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C5H5BrO3
MOLECULAR WEIGHT: 192.9954
SMILES: C1C(=O)C(=CC(O1)O)Br
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Product OPENEYE NAME: 4-chloro-6-ethyl-2-hydroxy-2H-pyran-5-one
CAS Name: 4-chloro-6-ethyl-2-hydroxy-2H-pyran-5-one
IUPAC NAME: 4-chloro-6-ethyl-2-hydroxy-2H-pyran-5-one
SYSTEMATIC NAME: 4-chloranyl-6-ethyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C7H9ClO3
MOLECULAR WEIGHT: 176.59756
SMILES: CCC1C(=O)C(=CC(O1)O)Cl
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Product OPENEYE NAME: 1-(5-methyl-2-furyl)propan-2-ol
CAS Name: 1-(5-methyl-2-furanyl)-2-propanol
IUPAC NAME: 1-(5-methylfuran-2-yl)propan-2-ol
SYSTEMATIC NAME: 1-(5-methylfuran-2-yl)propan-2-ol
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC1=CC=C(O1)CC(C)O
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Product OPENEYE NAME: 6-methoxy-5,6-dimethyl-heptane-1,2,3,4,5-pentol
CAS Name: 6-methoxy-5,6-dimethylheptane-1,2,3,4,5-pentol
IUPAC NAME: 6-methoxy-5,6-dimethylheptane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 6-methoxy-5,6-dimethyl-heptane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C10H22O6
MOLECULAR WEIGHT: 238.27808
SMILES: CC(C)(C(C)(C(C(C(CO)O)O)O)O)OC
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Product OPENEYE NAME: 2-(2-hydroxy-1-methoxy-1-methyl-ethyl)-2,3-dimethyl-tetrahydrofuran-3,4-diol
CAS Name: 2-(1-hydroxy-2-methoxypropan-2-yl)-2,3-dimethyloxolane-3,4-diol
IUPAC NAME: 2-(1-hydroxy-2-methoxypropan-2-yl)-2,3-dimethyloxolane-3,4-diol
SYSTEMATIC NAME: 2-(2-methoxy-1-oxidanyl-propan-2-yl)-2,3-dimethyl-oxolane-3,4-diol
MOLECULAR FORMULA: C10H20O5
MOLECULAR WEIGHT: 220.2628
SMILES: CC1(C(COC1(C)C(C)(CO)OC)O)O
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Product OPENEYE NAME: 5,6-dimethoxy-4,5,6-trimethyl-heptane-1,2,3,4-tetrol
CAS Name: 5,6-dimethoxy-4,5,6-trimethylheptane-1,2,3,4-tetrol
IUPAC NAME: 5,6-dimethoxy-4,5,6-trimethylheptane-1,2,3,4-tetrol
SYSTEMATIC NAME: 5,6-dimethoxy-4,5,6-trimethyl-heptane-1,2,3,4-tetrol
MOLECULAR FORMULA: C12H26O6
MOLECULAR WEIGHT: 266.33124
SMILES: CC(C)(C(C)(C(C)(C(C(CO)O)O)O)OC)OC
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Product OPENEYE NAME: 2-[1-ethoxy-1-(hydroxymethyl)propyl]-2,3-diethyl-tetrahydrofuran-3,4-diol
CAS Name: 2-(2-ethoxy-1-hydroxybutan-2-yl)-2,3-diethyloxolane-3,4-diol
IUPAC NAME: 2-(2-ethoxy-1-hydroxybutan-2-yl)-2,3-diethyloxolane-3,4-diol
SYSTEMATIC NAME: 2-(2-ethoxy-1-oxidanyl-butan-2-yl)-2,3-diethyl-oxolane-3,4-diol
MOLECULAR FORMULA: C14H28O5
MOLECULAR WEIGHT: 276.36912
SMILES: CCC1(C(COC1(CC)C(CC)(CO)OCC)O)O
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