Saturday, August 3, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(2-octylcyclopentyl)butylsulfanyl]acetic acid
CAS Name: 2-[4-(2-octylcyclopentyl)butylthio]acetic acid
IUPAC NAME: 2-[4-(2-octylcyclopentyl)butylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-[4-(2-octylcyclopentyl)butylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C19H36O2S
MOLECULAR WEIGHT: 328.55294
SMILES: CCCCCCCCC1CCCC1CCCCSCC(=O)O
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Product OPENEYE NAME: 2,2-dimethyl-7-(2-octylcyclopentyl)heptanoic acid
CAS Name: 2,2-dimethyl-7-(2-octylcyclopentyl)heptanoic acid
IUPAC NAME: 2,2-dimethyl-7-(2-octylcyclopentyl)heptanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-7-(2-octylcyclopentyl)heptanoic acid
MOLECULAR FORMULA: C22H42O2
MOLECULAR WEIGHT: 338.56768
SMILES: CCCCCCCCC1CCCC1CCCCCC(C)(C)C(=O)O
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Product OPENEYE NAME: 1-[(E)-oct-4-enyl]-2-octyl-cyclopentane
CAS Name: 1-[(E)-oct-4-enyl]-2-octylcyclopentane
IUPAC NAME: 1-[(E)-oct-4-enyl]-2-octylcyclopentane
SYSTEMATIC NAME: 1-[(E)-oct-4-enyl]-2-octyl-cyclopentane
MOLECULAR FORMULA: C21H40
MOLECULAR WEIGHT: 292.5423
SMILES: CCCCCCCCC1CCCC1CCC/C=C/CCC
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Product OPENEYE NAME: 2-propyl-4-trityloxy-hex-5-ynenitrile
CAS Name: 2-propyl-4-(triphenylmethyl)oxy-5-hexynenitrile
IUPAC NAME: 2-propyl-4-trityloxyhex-5-ynenitrile
SYSTEMATIC NAME: 2-propyl-4-(triphenylmethyl)oxy-hex-5-ynenitrile
MOLECULAR FORMULA: C28H27NO
MOLECULAR WEIGHT: 393.52008
SMILES: CCCC(CC(C#C)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N
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Product OPENEYE NAME: [1-[(E)-2-iodovinyl]heptoxy-diphenyl-methyl]benzene
CAS Name: [[(E)-1-iodonon-1-en-3-yl]oxy-diphenylmethyl]benzene
IUPAC NAME: [[(E)-1-iodonon-1-en-3-yl]oxy-diphenylmethyl]benzene
SYSTEMATIC NAME: [[(E)-1-iodanylnon-1-en-3-yl]oxy-diphenyl-methyl]benzene
MOLECULAR FORMULA: C28H31IO
MOLECULAR WEIGHT: 510.44961
SMILES: CCCCCCC(/C=C/I)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (2E,4E)-7-[2-(5,5-dimethyloctyl)cyclopentyl]hepta-2,4-dienoate
CAS Name: (2E,4E)-7-[2-(5,5-dimethyloctyl)cyclopentyl]hepta-2,4-dienoate
IUPAC NAME: (2E,4E)-7-[2-(5,5-dimethyloctyl)cyclopentyl]hepta-2,4-dienoate
SYSTEMATIC NAME: (2E,4E)-7-[2-(5,5-dimethyloctyl)cyclopentyl]hepta-2,4-dienoate
MOLECULAR FORMULA: C22H37O2-
MOLECULAR WEIGHT: 333.52798
SMILES: CCCC(C)(C)CCCCC1CCCC1CC/C=C/C=C/C(=O)[O-]
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Product OPENEYE NAME: (2E,4E)-7-[2-(5,5-dimethyloctyl)cyclopentyl]hepta-2,4-dienoic acid
CAS Name: (2E,4E)-7-[2-(5,5-dimethyloctyl)cyclopentyl]hepta-2,4-dienoic acid
IUPAC NAME: (2E,4E)-7-[2-(5,5-dimethyloctyl)cyclopentyl]hepta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-7-[2-(5,5-dimethyloctyl)cyclopentyl]hepta-2,4-dienoic acid
MOLECULAR FORMULA: C22H38O2
MOLECULAR WEIGHT: 334.53592
SMILES: CCCC(C)(C)CCCCC1CCCC1CC/C=C/C=C/C(=O)O
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Product OPENEYE NAME: methyl 7-[5-(hydroxymethyl)cyclopenten-1-yl]heptanoate
CAS Name: 7-[5-(hydroxymethyl)-1-cyclopentenyl]heptanoic acid methyl ester
IUPAC NAME: methyl 7-[5-(hydroxymethyl)cyclopenten-1-yl]heptanoate
SYSTEMATIC NAME: methyl 7-[5-(hydroxymethyl)cyclopenten-1-yl]heptanoate
MOLECULAR FORMULA: C14H24O3
MOLECULAR WEIGHT: 240.33856
SMILES: COC(=O)CCCCCCC1=CCCC1CO
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Product OPENEYE NAME: methyl (E)-2,2-dihydroxy-7-[2-[(1E,5E)-octa-1,5-dienyl]cyclopentyl]hept-5-enoate
CAS Name: (E)-2,2-dihydroxy-7-[2-[(1E,5E)-octa-1,5-dienyl]cyclopentyl]-5-heptenoic acid methyl ester
IUPAC NAME: methyl (E)-2,2-dihydroxy-7-[2-[(1E,5E)-octa-1,5-dienyl]cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (E)-7-[2-[(1E,5E)-octa-1,5-dienyl]cyclopentyl]-2,2-bis(oxidanyl)hept-5-enoate
MOLECULAR FORMULA: C21H34O4
MOLECULAR WEIGHT: 350.49226
SMILES: CC/C=C/CC/C=C/C1CCCC1C/C=C/CCC(C(=O)OC)(O)O
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Product OPENEYE NAME: 1-(4-ethoxybutyl)-2-[(E)-oct-4-enyl]cyclopentane
CAS Name: 1-(4-ethoxybutyl)-2-[(E)-oct-4-enyl]cyclopentane
IUPAC NAME: 1-(4-ethoxybutyl)-2-[(E)-oct-4-enyl]cyclopentane
SYSTEMATIC NAME: 1-(4-ethoxybutyl)-2-[(E)-oct-4-enyl]cyclopentane
MOLECULAR FORMULA: C19H36O
MOLECULAR WEIGHT: 280.48854
SMILES: CCC/C=C/CCCC1CCCC1CCCCOCC
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Product OPENEYE NAME: 1-chlorooct-4-yn-3-ol
CAS Name: 1-chloro-4-octyn-3-ol
IUPAC NAME: 1-chlorooct-4-yn-3-ol
SYSTEMATIC NAME: 1-chloranyloct-4-yn-3-ol
MOLECULAR FORMULA: C8H13ClO
MOLECULAR WEIGHT: 160.64122
SMILES: CCCC#CC(CCCl)O
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Product OPENEYE NAME: ethyl 7-(3-bromo-5-oxo-cyclopenten-1-yl)heptanoate
CAS Name: 7-(3-bromo-5-oxo-1-cyclopentenyl)heptanoic acid ethyl ester
IUPAC NAME: ethyl 7-(3-bromo-5-oxocyclopenten-1-yl)heptanoate
SYSTEMATIC NAME: ethyl 7-(3-bromanyl-5-oxidanylidene-cyclopenten-1-yl)heptanoate
MOLECULAR FORMULA: C14H21BrO3
MOLECULAR WEIGHT: 317.21874
SMILES: CCOC(=O)CCCCCCC1=CC(CC1=O)Br
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Product OPENEYE NAME: decyl (E)-7-[2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]hept-2-enoate
CAS Name: (E)-7-[2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]-2-heptenoic acid decyl ester
IUPAC NAME: decyl (E)-7-[2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]hept-2-enoate
SYSTEMATIC NAME: decyl (E)-7-[2-oxidanyl-5-(3-oxidanyloctyl)cyclopentyl]hept-2-enoate
MOLECULAR FORMULA: C30H56O4
MOLECULAR WEIGHT: 480.76324
SMILES: CCCCCCCCCCOC(=O)/C=C/CCCCC1C(CCC1O)CCC(CCCCC)O
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Product OPENEYE NAME: lithium dimethyl-bis[(E)-3-trityloxyoct-1-enyl]alumanuide
CAS Name: lithium dimethyl-bis[(E)-3-(triphenylmethyl)oxyoct-1-enyl]alumanuide
IUPAC NAME: lithium dimethyl-bis[(E)-3-trityloxyoct-1-enyl]alumanuide
SYSTEMATIC NAME: lithium dimethyl-bis[(E)-3-(triphenylmethyl)oxyoct-1-enyl]alumanuide
MOLECULAR FORMULA: C56H64AlLiO2
MOLECULAR WEIGHT: 803.028698
SMILES: [Li+].CCCCCC(OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/[Al-](/C=C/C(OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CCCCC)(C)C
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Product OPENEYE NAME: dimethyl-bis[(E)-3-trityloxyoct-1-enyl]alumanuide
CAS Name: dimethyl-bis[(E)-3-(triphenylmethyl)oxyoct-1-enyl]alumanuide
IUPAC NAME: dimethyl-bis[(E)-3-trityloxyoct-1-enyl]alumanuide
SYSTEMATIC NAME: dimethyl-bis[(E)-3-(triphenylmethyl)oxyoct-1-enyl]alumanuide
MOLECULAR FORMULA: C56H64AlO2-
MOLECULAR WEIGHT: 796.087698
SMILES: CCCCCC(OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/[Al-](/C=C/C(OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CCCCC)(C)C
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Product OPENEYE NAME: tris-decyl-[(E)-3-trityloxyoct-1-enyl]alumanuide
CAS Name: tris-decyl-[(E)-3-(triphenylmethyl)oxyoct-1-enyl]alumanuide
IUPAC NAME: tris-decyl-[(E)-3-trityloxyoct-1-enyl]alumanuide
SYSTEMATIC NAME: tris-decyl-[(E)-3-(triphenylmethyl)oxyoct-1-enyl]alumanuide
MOLECULAR FORMULA: C57H92AlO-
MOLECULAR WEIGHT: 820.321318
SMILES: CCCCCCCCCC[Al-](CCCCCCCCCC)(CCCCCCCCCC)/C=C/C(CCCCC)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: methyl (E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-5-oxo-cyclopentyl]hept-5-enoate
CAS Name: (E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]-5-heptenoic acid methyl ester
IUPAC NAME: methyl (E)-7-[2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (E)-7-[2-oxidanylidene-5-[(1E,5E)-3-oxidanylocta-1,5-dienyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 348.47638
SMILES: CC/C=C/CC(/C=C/C1CCC(=O)C1C/C=C/CCCC(=O)OC)O
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Product OPENEYE NAME: 1-hexyl-2-[(E)-oct-1-enyl]cyclopentane
CAS Name: 1-hexyl-2-[(E)-oct-1-enyl]cyclopentane
IUPAC NAME: 1-hexyl-2-[(E)-oct-1-enyl]cyclopentane
SYSTEMATIC NAME: 1-hexyl-2-[(E)-oct-1-enyl]cyclopentane
MOLECULAR FORMULA: C19H36
MOLECULAR WEIGHT: 264.48914
SMILES: CCCCCC/C=C/C1CCCC1CCCCCC
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Product OPENEYE NAME: (E)-2-methyl-7-[2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CAS Name: (E)-2-methyl-7-[2-[(E)-oct-1-enyl]cyclopentyl]-5-heptenoic acid
IUPAC NAME: (E)-2-methyl-7-[2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-2-methyl-7-[2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: CCCCCC/C=C/C1CCCC1C/C=C/CCC(C)C(=O)O
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Product OPENEYE NAME: 2,2-dimethyl-7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
CAS Name: 2,2-dimethyl-7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
IUPAC NAME: 2,2-dimethyl-7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C22H40O2
MOLECULAR WEIGHT: 336.5518
SMILES: CCCCCC/C=C/C1CCCC1CCCCCC(C)(C)C(=O)O
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Product OPENEYE NAME: 7-[2-[(1E,5E)-octa-1,5-dienyl]cyclopentyl]heptanoic acid
CAS Name: 7-[2-[(1E,5E)-octa-1,5-dienyl]cyclopentyl]heptanoic acid
IUPAC NAME: 7-[2-[(1E,5E)-octa-1,5-dienyl]cyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[2-[(1E,5E)-octa-1,5-dienyl]cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CC/C=C/CC/C=C/C1CCCC1CCCCCCC(=O)O
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