Friday, August 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: aluminum; 2-hydroxypropanoate; stearic acid
CAS Name: aluminum; 2-hydroxypropanoate; octadecanoic acid
IUPAC NAME: aluminum; 2-hydroxypropanoate; octadecanoic acid
SYSTEMATIC NAME: aluminum; octadecanoic acid; 2-oxidanylpropanoate
MOLECULAR FORMULA: C27H51AlO11
MOLECULAR WEIGHT: 578.668778
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CC(C(=O)[O-])O.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Al+3]
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Product OPENEYE NAME: 2-[4-(4-pentylphenyl)-4-propyl-cyclohexyl]-1-phenyl-ethanone
CAS Name: 2-[4-(4-pentylphenyl)-4-propylcyclohexyl]-1-phenylethanone
IUPAC NAME: 2-[4-(4-pentylphenyl)-4-propylcyclohexyl]-1-phenylethanone
SYSTEMATIC NAME: 2-[4-(4-pentylphenyl)-4-propyl-cyclohexyl]-1-phenyl-ethanone
MOLECULAR FORMULA: C28H38O
MOLECULAR WEIGHT: 390.60072
SMILES: CCCCCC1=CC=C(C=C1)C2(CCC(CC2)CC(=O)C3=CC=CC=C3)CCC
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Product OPENEYE NAME: 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-propylphenyl)benzene
CAS Name: 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-propylphenyl)benzene
IUPAC NAME: 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-propylphenyl)benzene
SYSTEMATIC NAME: 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-propylphenyl)benzene
MOLECULAR FORMULA: C25H34
MOLECULAR WEIGHT: 334.53746
SMILES: CCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3CCC(CC3)CC
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Product OPENEYE NAME: 1-butoxy-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CAS Name: 1-butoxy-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
IUPAC NAME: 1-butoxy-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
SYSTEMATIC NAME: 1-butoxy-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
MOLECULAR FORMULA: C27H38O
MOLECULAR WEIGHT: 378.59002
SMILES: CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3CCC(CC3)CCC
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Product OPENEYE NAME: 1-butoxy-4-[2-(4-ethylcyclohexyl)ethyl]benzene
CAS Name: 1-butoxy-4-[2-(4-ethylcyclohexyl)ethyl]benzene
IUPAC NAME: 1-butoxy-4-[2-(4-ethylcyclohexyl)ethyl]benzene
SYSTEMATIC NAME: 1-butoxy-4-[2-(4-ethylcyclohexyl)ethyl]benzene
MOLECULAR FORMULA: C20H32O
MOLECULAR WEIGHT: 288.46748
SMILES: CCCCOC1=CC=C(C=C1)CCC2CCC(CC2)CC
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Product OPENEYE NAME: 4-[2-(4-butylcyclohexyl)ethyl]phenol
CAS Name: 4-[2-(4-butylcyclohexyl)ethyl]phenol
IUPAC NAME: 4-[2-(4-butylcyclohexyl)ethyl]phenol
SYSTEMATIC NAME: 4-[2-(4-butylcyclohexyl)ethyl]phenol
MOLECULAR FORMULA: C18H28O
MOLECULAR WEIGHT: 260.41432
SMILES: CCCCC1CCC(CC1)CCC2=CC=C(C=C2)O
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Product OPENEYE NAME: 1-propyl-4-[2-(4-propylcyclohexyl)ethyl]benzene
CAS Name: 1-propyl-4-[2-(4-propylcyclohexyl)ethyl]benzene
IUPAC NAME: 1-propyl-4-[2-(4-propylcyclohexyl)ethyl]benzene
SYSTEMATIC NAME: 1-propyl-4-[2-(4-propylcyclohexyl)ethyl]benzene
MOLECULAR FORMULA: C20H32
MOLECULAR WEIGHT: 272.46808
SMILES: CCCC1CCC(CC1)CCC2=CC=C(C=C2)CCC
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Product OPENEYE NAME: 1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]propan-1-one
CAS Name: 1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]-1-propanone
IUPAC NAME: 1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]propan-1-one
SYSTEMATIC NAME: 1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]propan-1-one
MOLECULAR FORMULA: C20H30O
MOLECULAR WEIGHT: 286.4516
SMILES: CCCC1CCC(CC1)CCC2=CC=C(C=C2)C(=O)CC
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Product OPENEYE NAME: 4-(8a-ethyldecalin-1-yl)benzonitrile
CAS Name: 4-(8a-ethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl)benzonitrile
IUPAC NAME: 4-(8a-ethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl)benzonitrile
SYSTEMATIC NAME: 4-(8a-ethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl)benzenecarbonitrile
MOLECULAR FORMULA: C19H25N
MOLECULAR WEIGHT: 267.4085
SMILES: CCC12CCCCC1CCCC2C3=CC=C(C=C3)C#N
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Product OPENEYE NAME: 1-ethyl-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CAS Name: 1-ethyl-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
IUPAC NAME: 1-ethyl-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
SYSTEMATIC NAME: 1-ethyl-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
MOLECULAR FORMULA: C25H34
MOLECULAR WEIGHT: 334.53746
SMILES: CCCC1CCC(CC1)CCC2=CC=C(C=C2)C3=CC=C(C=C3)CC
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Product OPENEYE NAME: 1-butoxy-4-[2-(4-butylcyclohexyl)ethyl]benzene
CAS Name: 1-butoxy-4-[2-(4-butylcyclohexyl)ethyl]benzene
IUPAC NAME: 1-butoxy-4-[2-(4-butylcyclohexyl)ethyl]benzene
SYSTEMATIC NAME: 1-butoxy-4-[2-(4-butylcyclohexyl)ethyl]benzene
MOLECULAR FORMULA: C22H36O
MOLECULAR WEIGHT: 316.52064
SMILES: CCCCC1CCC(CC1)CCC2=CC=C(C=C2)OCCCC
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Product OPENEYE NAME: 4-[2-(4-hexylcyclohexyl)ethyl]benzoic acid
CAS Name: 4-[2-(4-hexylcyclohexyl)ethyl]benzoic acid
IUPAC NAME: 4-[2-(4-hexylcyclohexyl)ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-(4-hexylcyclohexyl)ethyl]benzoic acid
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: CCCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C(=O)O
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Product OPENEYE NAME: 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]acetate
CAS Name: 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]acetate
IUPAC NAME: 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]acetate
SYSTEMATIC NAME: 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethanoate
MOLECULAR FORMULA: C20H29O2-
MOLECULAR WEIGHT: 301.44306
SMILES: CCCCC1CCC(CC1)CCC2=CC=C(C=C2)CC(=O)[O-]
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Product OPENEYE NAME: 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]acetic acid
CAS Name: 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]acetic acid
IUPAC NAME: 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CCCCC1CCC(CC1)CCC2=CC=C(C=C2)CC(=O)O
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Product OPENEYE NAME: 1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]propan-1-one
CAS Name: 1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-1-propanone
IUPAC NAME: 1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]propan-1-one
SYSTEMATIC NAME: 1-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]propan-1-one
MOLECULAR FORMULA: C22H34O
MOLECULAR WEIGHT: 314.50476
SMILES: CCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C(=O)CC
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Product OPENEYE NAME: 4-[(E)-2-(4-pentylcyclohexyl)vinyl]benzoic acid
CAS Name: 4-[(E)-2-(4-pentylcyclohexyl)ethenyl]benzoic acid
IUPAC NAME: 4-[(E)-2-(4-pentylcyclohexyl)ethenyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(4-pentylcyclohexyl)ethenyl]benzoic acid
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: CCCCCC1CCC(CC1)/C=C/C2=CC=C(C=C2)C(=O)O
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Product OPENEYE NAME: 1-hexyl-4-[2-(4-propylcyclohexyl)ethyl]benzene
CAS Name: 1-hexyl-4-[2-(4-propylcyclohexyl)ethyl]benzene
IUPAC NAME: 1-hexyl-4-[2-(4-propylcyclohexyl)ethyl]benzene
SYSTEMATIC NAME: 1-hexyl-4-[2-(4-propylcyclohexyl)ethyl]benzene
MOLECULAR FORMULA: C23H38
MOLECULAR WEIGHT: 314.54782
SMILES: CCCCCCC1=CC=C(C=C1)CCC2CCC(CC2)CCC
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Product OPENEYE NAME: 1-[2-(4-butylcyclohexyl)ethyl]-4-propyl-benzene
CAS Name: 1-[2-(4-butylcyclohexyl)ethyl]-4-propylbenzene
IUPAC NAME: 1-[2-(4-butylcyclohexyl)ethyl]-4-propylbenzene
SYSTEMATIC NAME: 1-[2-(4-butylcyclohexyl)ethyl]-4-propyl-benzene
MOLECULAR FORMULA: C21H34
MOLECULAR WEIGHT: 286.49466
SMILES: CCCCC1CCC(CC1)CCC2=CC=C(C=C2)CCC
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Product OPENEYE NAME: 1-[2-(4-butylcyclohexyl)ethyl]-4-ethoxy-benzene
CAS Name: 1-[2-(4-butylcyclohexyl)ethyl]-4-ethoxybenzene
IUPAC NAME: 1-[2-(4-butylcyclohexyl)ethyl]-4-ethoxybenzene
SYSTEMATIC NAME: 1-[2-(4-butylcyclohexyl)ethyl]-4-ethoxy-benzene
MOLECULAR FORMULA: C20H32O
MOLECULAR WEIGHT: 288.46748
SMILES: CCCCC1CCC(CC1)CCC2=CC=C(C=C2)OCC
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