Thursday, July 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-ethoxy-1-phenyl-3-(2-pyridyl)urea
CAS Name: 1-ethoxy-1-phenyl-3-(2-pyridinyl)urea
IUPAC NAME: 1-ethoxy-1-phenyl-3-pyridin-2-ylurea
SYSTEMATIC NAME: 1-ethoxy-1-phenyl-3-pyridin-2-yl-urea
MOLECULAR FORMULA: C14H15N3O2
MOLECULAR WEIGHT: 257.2878
SMILES: CCON(C1=CC=CC=C1)C(=O)NC2=CC=CC=N2
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Product OPENEYE NAME: 2-(2-pyridylperoxy)phenol
CAS Name: 2-(2-pyridinyldioxy)phenol
IUPAC NAME: 2-pyridin-2-ylperoxyphenol
SYSTEMATIC NAME: 2-pyridin-2-ylperoxyphenol
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: C1=CC=C(C(=C1)O)OOC2=CC=CC=N2
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Product OPENEYE NAME: 2-[3-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]phenol
CAS Name: 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]phenol
IUPAC NAME: 2-[3-(3,5-dichloropyridin-2-yl)oxyphenoxy]phenol
SYSTEMATIC NAME: 2-[3-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenoxy]phenol
MOLECULAR FORMULA: C17H11Cl2NO3
MOLECULAR WEIGHT: 348.18014
SMILES: C1=CC=C(C(=C1)O)OC2=CC(=CC=C2)OC3=C(C=C(C=N3)Cl)Cl
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Product OPENEYE NAME: calcium dodecane-1,12-disulfonate
CAS Name: calcium dodecane-1,12-disulfonate
IUPAC NAME: calcium dodecane-1,12-disulfonate
SYSTEMATIC NAME: calcium dodecane-1,12-disulfonate
MOLECULAR FORMULA: C12H24CaO6S2
MOLECULAR WEIGHT: 368.52336
SMILES: C(CCCCCCS(=O)(=O)[O-])CCCCCS(=O)(=O)[O-].[Ca+2]
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Product OPENEYE NAME: 2-[(5Z)-5-(3,5-dichloro-1H-pyridin-2-ylidene)-2-nitro-6-oxo-cyclohexa-1,3-dien-1-yl]oxypropanoic acid
CAS Name: 2-[[(5Z)-5-(3,5-dichloro-1H-pyridin-2-ylidene)-2-nitro-6-oxo-1-cyclohexa-1,3-dienyl]oxy]propanoic acid
IUPAC NAME: 2-[(5Z)-5-(3,5-dichloro-1H-pyridin-2-ylidene)-2-nitro-6-oxocyclohexa-1,3-dien-1-yl]oxypropanoic acid
SYSTEMATIC NAME: 2-[(5Z)-5-[3,5-bis(chloranyl)-1H-pyridin-2-ylidene]-2-nitro-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]oxypropanoic acid
MOLECULAR FORMULA: C14H10Cl2N2O6
MOLECULAR WEIGHT: 373.145
SMILES: CC(C(=O)O)OC1=C(C=C/C(=C/2\C(=CC(=CN2)Cl)Cl)/C1=O)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(2-bromo-4-nitro-phenoxy)phenol
CAS Name: 3-(2-bromo-4-nitrophenoxy)phenol
IUPAC NAME: 3-(2-bromo-4-nitrophenoxy)phenol
SYSTEMATIC NAME: 3-(2-bromanyl-4-nitro-phenoxy)phenol
MOLECULAR FORMULA: C12H8BrNO4
MOLECULAR WEIGHT: 310.10022
SMILES: C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Br)O
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Product OPENEYE NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanoic acid
CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]propanoic acid
IUPAC NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]propanoic acid
SYSTEMATIC NAME: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanoic acid
MOLECULAR FORMULA: C17H14ClF3O4S
MOLECULAR WEIGHT: 406.80387
SMILES: CC(C(=O)O)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)SC
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Product OPENEYE NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]-N-hexyl-propanamide
CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]-N-hexylpropanamide
IUPAC NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]-N-hexylpropanamide
SYSTEMATIC NAME: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]-N-hexyl-propanamide
MOLECULAR FORMULA: C23H27ClF3NO3S
MOLECULAR WEIGHT: 489.97859
SMILES: CCCCCCNC(=O)C(C)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)SC
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Product OPENEYE NAME: 3-(4-bromophenoxy)phenol
CAS Name: 3-(4-bromophenoxy)phenol
IUPAC NAME: 3-(4-bromophenoxy)phenol
SYSTEMATIC NAME: 3-(4-bromanylphenoxy)phenol
MOLECULAR FORMULA: C12H9BrO2
MOLECULAR WEIGHT: 265.10266
SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)Br)O
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Product OPENEYE NAME: 2-[5-(2-cyano-4-fluoro-phenoxy)-2-methylsulfanyl-phenoxy]propanamide
CAS Name: 2-[5-(2-cyano-4-fluorophenoxy)-2-(methylthio)phenoxy]propanamide
IUPAC NAME: 2-[5-(2-cyano-4-fluorophenoxy)-2-methylsulfanylphenoxy]propanamide
SYSTEMATIC NAME: 2-[5-(2-cyano-4-fluoranyl-phenoxy)-2-methylsulfanyl-phenoxy]propanamide
MOLECULAR FORMULA: C17H15FN2O3S
MOLECULAR WEIGHT: 346.376003
SMILES: CC(C(=O)N)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)F)C#N)SC
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Product OPENEYE NAME: 2-[5-(2-bromo-4-nitro-phenoxy)-2-methylsulfanyl-phenoxy]propanoic acid
CAS Name: 2-[5-(2-bromo-4-nitrophenoxy)-2-(methylthio)phenoxy]propanoic acid
IUPAC NAME: 2-[5-(2-bromo-4-nitrophenoxy)-2-methylsulfanylphenoxy]propanoic acid
SYSTEMATIC NAME: 2-[5-(2-bromanyl-4-nitro-phenoxy)-2-methylsulfanyl-phenoxy]propanoic acid
MOLECULAR FORMULA: C16H14BrNO6S
MOLECULAR WEIGHT: 428.25446
SMILES: CC(C(=O)O)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Br)SC
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Product OPENEYE NAME: S-methyl 2-[5-(2-chloro-4-cyano-phenoxy)-2-ethylsulfanyl-phenoxy]propanethioate
CAS Name: 2-[5-(2-chloro-4-cyanophenoxy)-2-(ethylthio)phenoxy]propanethioic acid S-methyl ester
IUPAC NAME: S-methyl 2-[5-(2-chloro-4-cyanophenoxy)-2-ethylsulfanylphenoxy]propanethioate
SYSTEMATIC NAME: S-methyl 2-[5-(2-chloranyl-4-cyano-phenoxy)-2-ethylsulfanyl-phenoxy]propanethioate
MOLECULAR FORMULA: C19H18ClNO3S2
MOLECULAR WEIGHT: 407.93412
SMILES: CCSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C#N)Cl)OC(C)C(=O)SC
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Product OPENEYE NAME: methyl 2-[2-butylsulfanyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CAS Name: 2-[2-(butylthio)-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid methyl ester
IUPAC NAME: methyl 2-[2-butylsulfanyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
SYSTEMATIC NAME: methyl 2-[2-butylsulfanyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
MOLECULAR FORMULA: C21H22ClF3O4S
MOLECULAR WEIGHT: 462.91019
SMILES: CCCCSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C)C(=O)OC
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Product OPENEYE NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]-N,N-dimethyl-propanamide
CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]-N,N-dimethylpropanamide
IUPAC NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]-N,N-dimethylpropanamide
SYSTEMATIC NAME: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]-N,N-dimethyl-propanamide
MOLECULAR FORMULA: C19H19ClF3NO3S
MOLECULAR WEIGHT: 433.87227
SMILES: CC(C(=O)N(C)C)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)SC
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Product OPENEYE NAME: 2-methylsulfanyl-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenol
CAS Name: 2-(methylthio)-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenol
IUPAC NAME: 2-methylsulfanyl-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenol
SYSTEMATIC NAME: 2-methylsulfanyl-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenol
MOLECULAR FORMULA: C14H10F3NO4S
MOLECULAR WEIGHT: 345.29371
SMILES: CSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O
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Product OPENEYE NAME: 3-(2-chloro-4-nitro-phenoxy)phenol
CAS Name: 3-(2-chloro-4-nitrophenoxy)phenol
IUPAC NAME: 3-(2-chloro-4-nitrophenoxy)phenol
SYSTEMATIC NAME: 3-(2-chloranyl-4-nitro-phenoxy)phenol
MOLECULAR FORMULA: C12H8ClNO4
MOLECULAR WEIGHT: 265.64922
SMILES: C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)O
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Product OPENEYE NAME: propyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanoate
CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]propanoic acid propyl ester
IUPAC NAME: propyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]propanoate
SYSTEMATIC NAME: propyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]propanoate
MOLECULAR FORMULA: C20H20ClF3O4S
MOLECULAR WEIGHT: 448.88361
SMILES: CCCOC(=O)C(C)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)SC
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Product OPENEYE NAME: 5-(2-bromo-4-nitro-phenoxy)-2-methylsulfanyl-phenol
CAS Name: 5-(2-bromo-4-nitrophenoxy)-2-(methylthio)phenol
IUPAC NAME: 5-(2-bromo-4-nitrophenoxy)-2-methylsulfanylphenol
SYSTEMATIC NAME: 5-(2-bromanyl-4-nitro-phenoxy)-2-methylsulfanyl-phenol
MOLECULAR FORMULA: C13H10BrNO4S
MOLECULAR WEIGHT: 356.1918
SMILES: CSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Br)O
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Product OPENEYE NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]-N-propyl-propanamide
CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]-N-propylpropanamide
IUPAC NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]-N-propylpropanamide
SYSTEMATIC NAME: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]-N-propyl-propanamide
MOLECULAR FORMULA: C20H21ClF3NO3S
MOLECULAR WEIGHT: 447.89885
SMILES: CCCNC(=O)C(C)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)SC
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Product OPENEYE NAME: 2-[5-(2,4-dichlorophenoxy)-2-propylsulfanyl-phenoxy]-N,N-dimethyl-propanamide
CAS Name: 2-[5-(2,4-dichlorophenoxy)-2-(propylthio)phenoxy]-N,N-dimethylpropanamide
IUPAC NAME: 2-[5-(2,4-dichlorophenoxy)-2-propylsulfanylphenoxy]-N,N-dimethylpropanamide
SYSTEMATIC NAME: 2-[5-[2,4-bis(chloranyl)phenoxy]-2-propylsulfanyl-phenoxy]-N,N-dimethyl-propanamide
MOLECULAR FORMULA: C20H23Cl2NO3S
MOLECULAR WEIGHT: 428.37252
SMILES: CCCSC1=C(C=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl)OC(C)C(=O)N(C)C
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