Thursday, April 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(3,4-dimethylphenyl)methyl]-2,3-dimethyl-benzene
CAS Name: 1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene
IUPAC NAME: 1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene
SYSTEMATIC NAME: 1-[(3,4-dimethylphenyl)methyl]-2,3-dimethyl-benzene
MOLECULAR FORMULA: C17H20
MOLECULAR WEIGHT: 224.3407
SMILES: CC1=C(C(=CC=C1)CC2=CC(=C(C=C2)C)C)C
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Product OPENEYE NAME: 2-[(2E,4E)-5-(1,3-dioxoindan-2-yl)penta-2,4-dienylidene]indane-1,3-dione
CAS Name: 2-[(2E,4E)-5-(1,3-dioxo-2-indenyl)penta-2,4-dienylidene]indene-1,3-dione
IUPAC NAME: 2-[(2E,4E)-5-(1,3-dioxoinden-2-yl)penta-2,4-dienylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[(2E,4E)-5-[1,3-bis(oxidanylidene)inden-2-yl]penta-2,4-dienylidene]indene-1,3-dione
MOLECULAR FORMULA: C23H14O4
MOLECULAR WEIGHT: 354.35486
SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)/C=C/C=C/C=C3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 2-[(1-hydroxy-3-oxo-inden-2-yl)methylene]indane-1,3-dione
CAS Name: 2-[(1-hydroxy-3-oxo-2-indenyl)methylidene]indene-1,3-dione
IUPAC NAME: 2-[(1-hydroxy-3-oxoinden-2-yl)methylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[(1-oxidanyl-3-oxidanylidene-inden-2-yl)methylidene]indene-1,3-dione
MOLECULAR FORMULA: C19H10O4
MOLECULAR WEIGHT: 302.2803
SMILES: C1=CC=C2C(=C1)C(=C(C2=O)C=C3C(=O)C4=CC=CC=C4C3=O)O
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Product OPENEYE NAME: 6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CAS Name: 6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
IUPAC NAME: 6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SYSTEMATIC NAME: 6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: CC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OC)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H20O5
MOLECULAR WEIGHT: 244.2842
SMILES: CC1C2C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C
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Product OPENEYE NAME: 2-[(E)-3-phenylsulfanylallyl]cyclohexanone
CAS Name: 2-[(E)-3-(phenylthio)prop-2-enyl]-1-cyclohexanone
IUPAC NAME: 2-[(E)-3-phenylsulfanylprop-2-enyl]cyclohexan-1-one
SYSTEMATIC NAME: 2-[(E)-3-phenylsulfanylprop-2-enyl]cyclohexan-1-one
MOLECULAR FORMULA: C15H18OS
MOLECULAR WEIGHT: 246.36782
SMILES: C1CCC(=O)C(C1)C/C=C/SC2=CC=CC=C2
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Product OPENEYE NAME: 2-butylmorpholine
CAS Name: 2-butylmorpholine
IUPAC NAME: 2-butylmorpholine
SYSTEMATIC NAME: 2-butylmorpholine
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCCCC1CNCCO1
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Product OPENEYE NAME: N'-(2-methoxyphenyl)-N-(o-tolyl)oxamide
CAS Name: N'-(2-methoxyphenyl)-N-(2-methylphenyl)oxamide
IUPAC NAME: N'-(2-methoxyphenyl)-N-(2-methylphenyl)oxamide
SYSTEMATIC NAME: N'-(2-methoxyphenyl)-N-(2-methylphenyl)ethanediamide
MOLECULAR FORMULA: C16H16N2O3
MOLECULAR WEIGHT: 284.30984
SMILES: CC1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=C2OC
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Product OPENEYE NAME: N'-(2,4-dimethylphenyl)-N-phenyl-oxamide
CAS Name: N'-(2,4-dimethylphenyl)-N-phenyloxamide
IUPAC NAME: N'-(2,4-dimethylphenyl)-N-phenyloxamide
SYSTEMATIC NAME: N'-(2,4-dimethylphenyl)-N-phenyl-ethanediamide
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: CC1=CC(=C(C=C1)NC(=O)C(=O)NC2=CC=CC=C2)C
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Product OPENEYE NAME: N'-(2-methoxyphenyl)-N-(m-tolyl)oxamide
CAS Name: N'-(2-methoxyphenyl)-N-(3-methylphenyl)oxamide
IUPAC NAME: N'-(2-methoxyphenyl)-N-(3-methylphenyl)oxamide
SYSTEMATIC NAME: N'-(2-methoxyphenyl)-N-(3-methylphenyl)ethanediamide
MOLECULAR FORMULA: C16H16N2O3
MOLECULAR WEIGHT: 284.30984
SMILES: CC1=CC(=CC=C1)NC(=O)C(=O)NC2=CC=CC=C2OC
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Product OPENEYE NAME: methyl (2R,3R)-3-propyloxirane-2-carboxylate
CAS Name: (2R,3R)-3-propyl-2-oxiranecarboxylic acid methyl ester
IUPAC NAME: methyl (2R,3R)-3-propyloxirane-2-carboxylate
SYSTEMATIC NAME: methyl (2R,3R)-3-propyloxirane-2-carboxylate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CCC[C@@H]1[C@@H](O1)C(=O)OC
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Product OPENEYE NAME: methyl (2S,3R)-3-propyloxirane-2-carboxylate
CAS Name: (2S,3R)-3-propyl-2-oxiranecarboxylic acid methyl ester
IUPAC NAME: methyl (2S,3R)-3-propyloxirane-2-carboxylate
SYSTEMATIC NAME: methyl (2S,3R)-3-propyloxirane-2-carboxylate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CCC[C@@H]1[C@H](O1)C(=O)OC
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Product OPENEYE NAME: methyl 3-isopropyloxirane-2-carboxylate
CAS Name: 3-propan-2-yl-2-oxiranecarboxylic acid methyl ester
IUPAC NAME: methyl 3-propan-2-yloxirane-2-carboxylate
SYSTEMATIC NAME: methyl 3-propan-2-yloxirane-2-carboxylate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CC(C)C1C(O1)C(=O)OC
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Product OPENEYE NAME: methyl 2-butyl-3-hydroxy-octanoate
CAS Name: 2-butyl-3-hydroxyoctanoic acid methyl ester
IUPAC NAME: methyl 2-butyl-3-hydroxyoctanoate
SYSTEMATIC NAME: methyl 2-butyl-3-oxidanyl-octanoate
MOLECULAR FORMULA: C13H26O3
MOLECULAR WEIGHT: 230.34374
SMILES: CCCCCC(C(CCCC)C(=O)OC)O
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