Monday, April 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 6,7-dichloro-2-(cyclopentylmethyl)-5-hydroxy-2-methyl-indan-1-one
CAS Name: 6,7-dichloro-2-(cyclopentylmethyl)-5-hydroxy-2-methyl-3H-inden-1-one
IUPAC NAME: 6,7-dichloro-2-(cyclopentylmethyl)-5-hydroxy-2-methyl-3H-inden-1-one
SYSTEMATIC NAME: 6,7-bis(chloranyl)-2-(cyclopentylmethyl)-2-methyl-5-oxidanyl-3H-inden-1-one
MOLECULAR FORMULA: C16H18Cl2O2
MOLECULAR WEIGHT: 313.21892
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)O)CC3CCCC3
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Product OPENEYE NAME: 6,7-dichloro-2-(cyclopentylmethyl)-5-methoxy-2-methyl-indan-1-one
CAS Name: 6,7-dichloro-2-(cyclopentylmethyl)-5-methoxy-2-methyl-3H-inden-1-one
IUPAC NAME: 6,7-dichloro-2-(cyclopentylmethyl)-5-methoxy-2-methyl-3H-inden-1-one
SYSTEMATIC NAME: 6,7-bis(chloranyl)-2-(cyclopentylmethyl)-5-methoxy-2-methyl-3H-inden-1-one
MOLECULAR FORMULA: C17H20Cl2O2
MOLECULAR WEIGHT: 327.2455
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OC)CC3CCCC3
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Product OPENEYE NAME: 2-[6,7-dichloro-2-(cyclopentylmethyl)-2-methyl-1-oxo-indan-5-yl]acetic acid
CAS Name: 2-[6,7-dichloro-2-(cyclopentylmethyl)-2-methyl-1-oxo-3H-inden-5-yl]acetic acid
IUPAC NAME: 2-[6,7-dichloro-2-(cyclopentylmethyl)-2-methyl-1-oxo-3H-inden-5-yl]acetic acid
SYSTEMATIC NAME: 2-[6,7-bis(chloranyl)-2-(cyclopentylmethyl)-2-methyl-1-oxidanylidene-3H-inden-5-yl]ethanoic acid
MOLECULAR FORMULA: C18H20Cl2O3
MOLECULAR WEIGHT: 355.2556
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)CC(=O)O)CC3CCCC3
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Product OPENEYE NAME: 5-but-3-enoxy-6,7-dichloro-2-cyclopentyl-2-methyl-indan-1-one
CAS Name: 5-but-3-enoxy-6,7-dichloro-2-cyclopentyl-2-methyl-3H-inden-1-one
IUPAC NAME: 5-but-3-enoxy-6,7-dichloro-2-cyclopentyl-2-methyl-3H-inden-1-one
SYSTEMATIC NAME: 5-but-3-enoxy-6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-3H-inden-1-one
MOLECULAR FORMULA: C19H22Cl2O2
MOLECULAR WEIGHT: 353.28278
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCC=C)C3CCCC3
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Product OPENEYE NAME: 3-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxypropanoic acid
CAS Name: 3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]propanoic acid
IUPAC NAME: 3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]propanoic acid
SYSTEMATIC NAME: 3-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]propanoic acid
MOLECULAR FORMULA: C18H20Cl2O4
MOLECULAR WEIGHT: 371.255
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCC(=O)O)C3CCCC3
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Product OPENEYE NAME: methyl 5-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxypentanoate
CAS Name: 5-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]pentanoic acid methyl ester
IUPAC NAME: methyl 5-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]pentanoate
SYSTEMATIC NAME: methyl 5-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]pentanoate
MOLECULAR FORMULA: C21H26Cl2O4
MOLECULAR WEIGHT: 413.33474
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCCC(=O)OC)C3CCCC3
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Product OPENEYE NAME: 5-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxypentanoic acid
CAS Name: 5-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]pentanoic acid
IUPAC NAME: 5-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]pentanoic acid
SYSTEMATIC NAME: 5-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]pentanoic acid
MOLECULAR FORMULA: C20H24Cl2O4
MOLECULAR WEIGHT: 399.30816
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCCC(=O)O)C3CCCC3
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Product OPENEYE NAME: ethyl 6-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxyhexanoate
CAS Name: 6-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]hexanoic acid ethyl ester
IUPAC NAME: ethyl 6-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]hexanoate
SYSTEMATIC NAME: ethyl 6-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]hexanoate
MOLECULAR FORMULA: C23H30Cl2O4
MOLECULAR WEIGHT: 441.3879
SMILES: CCOC(=O)CCCCCOC1=C(C(=C2C(=C1)CC(C2=O)(C)C3CCCC3)Cl)Cl
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Product OPENEYE NAME: 6-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxyhexanoic acid
CAS Name: 6-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]hexanoic acid
IUPAC NAME: 6-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]hexanoic acid
SYSTEMATIC NAME: 6-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]hexanoic acid
MOLECULAR FORMULA: C21H26Cl2O4
MOLECULAR WEIGHT: 413.33474
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCCCC(=O)O)C3CCCC3
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Product OPENEYE NAME: ethyl 7-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxyheptanoate
CAS Name: 7-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]heptanoic acid ethyl ester
IUPAC NAME: ethyl 7-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]heptanoate
SYSTEMATIC NAME: ethyl 7-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]heptanoate
MOLECULAR FORMULA: C24H32Cl2O4
MOLECULAR WEIGHT: 455.41448
SMILES: CCOC(=O)CCCCCCOC1=C(C(=C2C(=C1)CC(C2=O)(C)C3CCCC3)Cl)Cl
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Product OPENEYE NAME: 7-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxyheptanoic acid
CAS Name: 7-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]heptanoic acid
IUPAC NAME: 7-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]heptanoic acid
SYSTEMATIC NAME: 7-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]heptanoic acid
MOLECULAR FORMULA: C22H28Cl2O4
MOLECULAR WEIGHT: 427.36132
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3
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Product OPENEYE NAME: 1-benzyl-5-ethyl-triazole-4-carboxylic acid
CAS Name: 5-ethyl-1-(phenylmethyl)-4-triazolecarboxylic acid
IUPAC NAME: 1-benzyl-5-ethyltriazole-4-carboxylic acid
SYSTEMATIC NAME: 5-ethyl-1-(phenylmethyl)-1,2,3-triazole-4-carboxylic acid
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: CCC1=C(N=NN1CC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 5-ethyl-2H-triazole-4-carboxylic acid
CAS Name: 5-ethyl-2H-triazole-4-carboxylic acid
IUPAC NAME: 5-ethyl-2H-triazole-4-carboxylic acid
SYSTEMATIC NAME: 5-ethyl-2H-1,2,3-triazole-4-carboxylic acid
MOLECULAR FORMULA: C5H7N3O2
MOLECULAR WEIGHT: 141.12798
SMILES: CCC1=NNN=C1C(=O)O
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Product OPENEYE NAME: isopropyl 5-ethyl-2H-triazole-4-carboxylate
CAS Name: 5-ethyl-2H-triazole-4-carboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 5-ethyl-2H-triazole-4-carboxylate
SYSTEMATIC NAME: propan-2-yl 5-ethyl-2H-1,2,3-triazole-4-carboxylate
MOLECULAR FORMULA: C8H13N3O2
MOLECULAR WEIGHT: 183.20772
SMILES: CCC1=NNN=C1C(=O)OC(C)C
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Product OPENEYE NAME: ethyl 2-acetyl-3-phenyl-pent-4-enoate
CAS Name: 2-acetyl-3-phenyl-4-pentenoic acid ethyl ester
IUPAC NAME: ethyl 2-acetyl-3-phenylpent-4-enoate
SYSTEMATIC NAME: ethyl 2-ethanoyl-3-phenyl-pent-4-enoate
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: CCOC(=O)C(C(C=C)C1=CC=CC=C1)C(=O)C
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Product OPENEYE NAME: ethyl 2-acetyl-4,6,6,6-tetrachloro-3,3-dimethyl-hexanoate
CAS Name: 2-acetyl-4,6,6,6-tetrachloro-3,3-dimethylhexanoic acid ethyl ester
IUPAC NAME: ethyl 2-acetyl-4,6,6,6-tetrachloro-3,3-dimethylhexanoate
SYSTEMATIC NAME: ethyl 4,6,6,6-tetrakis(chloranyl)-2-ethanoyl-3,3-dimethyl-hexanoate
MOLECULAR FORMULA: C12H18Cl4O3
MOLECULAR WEIGHT: 352.08152
SMILES: CCOC(=O)C(C(=O)C)C(C)(C)C(CC(Cl)(Cl)Cl)Cl
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Product OPENEYE NAME: ethyl 2-acetyl-4-bromo-6,6,6-trichloro-3,3-dimethyl-hexanoate
CAS Name: 2-acetyl-4-bromo-6,6,6-trichloro-3,3-dimethylhexanoic acid ethyl ester
IUPAC NAME: ethyl 2-acetyl-4-bromo-6,6,6-trichloro-3,3-dimethylhexanoate
SYSTEMATIC NAME: ethyl 4-bromanyl-6,6,6-tris(chloranyl)-2-ethanoyl-3,3-dimethyl-hexanoate
MOLECULAR FORMULA: C12H18BrCl3O3
MOLECULAR WEIGHT: 396.53252
SMILES: CCOC(=O)C(C(=O)C)C(C)(C)C(CC(Cl)(Cl)Cl)Br
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Product OPENEYE NAME: ethyl 2-acetyl-4,6,6,6-tetrachloro-3-phenyl-hexanoate
CAS Name: 2-acetyl-4,6,6,6-tetrachloro-3-phenylhexanoic acid ethyl ester
IUPAC NAME: ethyl 2-acetyl-4,6,6,6-tetrachloro-3-phenylhexanoate
SYSTEMATIC NAME: ethyl 4,6,6,6-tetrakis(chloranyl)-2-ethanoyl-3-phenyl-hexanoate
MOLECULAR FORMULA: C16H18Cl4O3
MOLECULAR WEIGHT: 400.12432
SMILES: CCOC(=O)C(C(C1=CC=CC=C1)C(CC(Cl)(Cl)Cl)Cl)C(=O)C
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Product OPENEYE NAME: ethyl 2-benzoyl-4,6,6,6-tetrachloro-3,3-dimethyl-hexanoate
CAS Name: 2-benzoyl-4,6,6,6-tetrachloro-3,3-dimethylhexanoic acid ethyl ester
IUPAC NAME: ethyl 2-benzoyl-4,6,6,6-tetrachloro-3,3-dimethylhexanoate
SYSTEMATIC NAME: ethyl 4,6,6,6-tetrakis(chloranyl)-3,3-dimethyl-2-(phenylcarbonyl)hexanoate
MOLECULAR FORMULA: C17H20Cl4O3
MOLECULAR WEIGHT: 414.1509
SMILES: CCOC(=O)C(C(=O)C1=CC=CC=C1)C(C)(C)C(CC(Cl)(Cl)Cl)Cl
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Product OPENEYE NAME: isopropyl 2-acetyl-4,6,6,6-tetrachloro-3,3-dimethyl-hexanoate
CAS Name: 2-acetyl-4,6,6,6-tetrachloro-3,3-dimethylhexanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-acetyl-4,6,6,6-tetrachloro-3,3-dimethylhexanoate
SYSTEMATIC NAME: propan-2-yl 4,6,6,6-tetrakis(chloranyl)-2-ethanoyl-3,3-dimethyl-hexanoate
MOLECULAR FORMULA: C13H20Cl4O3
MOLECULAR WEIGHT: 366.1081
SMILES: CC(C)OC(=O)C(C(=O)C)C(C)(C)C(CC(Cl)(Cl)Cl)Cl
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Product OPENEYE NAME: 5-amino-2-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
CAS Name: 5-amino-2-phenyl-4-[3-(trifluoromethyl)phenyl]-3-thiophenone
IUPAC NAME: 5-amino-2-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
SYSTEMATIC NAME: 5-azanyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
MOLECULAR FORMULA: C17H12F3NOS
MOLECULAR WEIGHT: 335.34349
SMILES: C1=CC=C(C=C1)C2C(=O)C(=C(S2)N)C3=CC(=CC=C3)C(F)(F)F
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