Friday, August 16, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N,N-dibutylbutan-1-amine bromide
CAS Name: N,N-dibutyl-1-butanamine bromide
IUPAC NAME: N,N-dibutylbutan-1-amine bromide
SYSTEMATIC NAME: N,N-dibutylbutan-1-amine bromide
MOLECULAR FORMULA: C12H27BrN-
MOLECULAR WEIGHT: 265.25348
SMILES: CCCCN(CCCC)CCCC.[Br-]
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Product OPENEYE NAME: trichloro-[chloro(dimethyl)silyl]oxy-silane
CAS Name: trichloro-[chloro(dimethyl)silyl]oxysilane
IUPAC NAME: trichloro-[chloro(dimethyl)silyl]oxysilane
SYSTEMATIC NAME: tris(chloranyl)-[chloranyl(dimethyl)silyl]oxy-silane
MOLECULAR FORMULA: C2H6Cl4OSi2
MOLECULAR WEIGHT: 244.05144
SMILES: C[Si](C)(O[Si](Cl)(Cl)Cl)Cl
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Product OPENEYE NAME: S-[2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]amino]ethyl] ethanethioate
CAS Name: ethanethioic acid S-[2-[[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethyl]amino]ethyl] ester
IUPAC NAME: S-[2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]amino]ethyl] ethanethioate
SYSTEMATIC NAME: S-[2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonylamino]ethyl] ethanethioate
MOLECULAR FORMULA: C18H14ClF3N2O5S
MOLECULAR WEIGHT: 462.82737
SMILES: CC(=O)SCCNC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(2-chloroacetyl)oxybutyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 4-(2-chloro-1-oxoethoxy)butyl ester
IUPAC NAME: 4-(2-chloroacetyl)oxybutyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 4-(2-chloranylethanoyloxy)butyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C20H16Cl2F3NO7
MOLECULAR WEIGHT: 510.24475
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCCCOC(=O)CCl
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Product OPENEYE NAME: 5-chloro-2-nitro-3-phenoxy-4-(trifluoromethyl)benzamide
CAS Name: 5-chloro-2-nitro-3-phenoxy-4-(trifluoromethyl)benzamide
IUPAC NAME: 5-chloro-2-nitro-3-phenoxy-4-(trifluoromethyl)benzamide
SYSTEMATIC NAME: 5-chloranyl-2-nitro-3-phenoxy-4-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C14H8ClF3N2O4
MOLECULAR WEIGHT: 360.67253
SMILES: C1=CC=C(C=C1)OC2=C(C(=CC(=C2C(F)(F)F)Cl)C(=O)N)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[2-(2-chloroacetyl)oxyethoxy]ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-[2-(2-chloro-1-oxoethoxy)ethoxy]ethyl ester
IUPAC NAME: 2-[2-(2-chloroacetyl)oxyethoxy]ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-[2-(2-chloranylethanoyloxy)ethoxy]ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C20H16Cl2F3NO8
MOLECULAR WEIGHT: 526.24415
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCOCCOC(=O)CCl
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Product OPENEYE NAME: 2,2-dimethylpropyl 3-acetoxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 3-acetyloxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2,2-dimethylpropyl ester
IUPAC NAME: 2,2-dimethylpropyl 3-acetyloxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2,2-dimethylpropyl 3-acetyloxy-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C21H19ClF3NO7
MOLECULAR WEIGHT: 489.82627
SMILES: CC(=O)OC1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)OCC(C)(C)C)[N+](=O)[O-]
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Product OPENEYE NAME: 5-[2-chloro-5-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-5-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
IUPAC NAME: 5-[2-chloro-5-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 5-[2-chloranyl-5-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C15H5ClF3N2O5-
MOLECULAR WEIGHT: 385.65881
SMILES: C1=CC(=C(C=C1OC2=C(C=C(C(=C2)C#N)C(F)(F)F)Cl)C(=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 5-[2-chloro-5-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid
CAS Name: 5-[2-chloro-5-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
IUPAC NAME: 5-[2-chloro-5-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
SYSTEMATIC NAME: 5-[2-chloranyl-5-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid
MOLECULAR FORMULA: C15H6ClF3N2O5
MOLECULAR WEIGHT: 386.66675
SMILES: C1=CC(=C(C=C1OC2=C(C=C(C(=C2)C#N)C(F)(F)F)Cl)C(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: 3-acetoxypropyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 3-acetyloxypropyl ester
IUPAC NAME: 3-acetyloxypropyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 3-acetyloxypropyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C19H15ClF3NO7
MOLECULAR WEIGHT: 461.77311
SMILES: CC(=O)OCCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]-methyl-amino]ethyl acetate
CAS Name: acetic acid 2-[[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethyl]-methylamino]ethyl ester
IUPAC NAME: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]-methylamino]ethyl acetate
SYSTEMATIC NAME: 2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyl-methyl-amino]ethyl ethanoate
MOLECULAR FORMULA: C19H16ClF3N2O6
MOLECULAR WEIGHT: 460.78835
SMILES: CC(=O)OCCN(C)C(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-methylpropanoyloxy)ethyl 5-[2-chloro-4-(1,2,2-trifluoroethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(1,2,2-trifluoroethyl)phenoxy]-2-nitrobenzoic acid 2-(2-methyl-1-oxopropoxy)ethyl ester
IUPAC NAME: 2-(2-methylpropanoyloxy)ethyl 5-[2-chloro-4-(1,2,2-trifluoroethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-(2-methylpropanoyloxy)ethyl 5-[2-chloranyl-4-[1,2,2-tris(fluoranyl)ethyl]phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C21H19ClF3NO7
MOLECULAR WEIGHT: 489.82627
SMILES: CC(C)C(=O)OCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(C(F)F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: (3-hydroxy-2,2-dimethyl-propyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (3-hydroxy-2,2-dimethylpropyl) ester
IUPAC NAME: (3-hydroxy-2,2-dimethylpropyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: (2,2-dimethyl-3-oxidanyl-propyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C19H17ClF3NO6
MOLECULAR WEIGHT: 447.78959
SMILES: CC(C)(CO)COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2,2,2-trifluoroacetyl)oxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(2,2,2-trifluoro-1-oxoethoxy)ethyl ester
IUPAC NAME: 2-(2,2,2-trifluoroacetyl)oxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-[2,2,2-tris(fluoranyl)ethanoyloxy]ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C18H10ClF6NO7
MOLECULAR WEIGHT: 501.717919
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCOC(=O)C(F)(F)F
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Product OPENEYE NAME: 4-(dimethylcarbamoyloxy)butyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate
CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid 4-[dimethylamino(oxo)methoxy]butyl ester
IUPAC NAME: 4-(dimethylcarbamoyloxy)butyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
SYSTEMATIC NAME: 4-(dimethylcarbamoyloxy)butyl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C20H20Cl2N2O7
MOLECULAR WEIGHT: 471.288
SMILES: CN(C)C(=O)OCCCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: [4-(trifluoromethyl)phenyl] 2-nitrobenzenecarboperoxoate
CAS Name: 2-nitrobenzenecarboperoxoic acid [4-(trifluoromethyl)phenyl] ester
IUPAC NAME: [4-(trifluoromethyl)phenyl] 2-nitrobenzenecarboperoxoate
SYSTEMATIC NAME: [4-(trifluoromethyl)phenyl] 2-nitrobenzenecarboperoxoate
MOLECULAR FORMULA: C14H8F3NO5
MOLECULAR WEIGHT: 327.21223
SMILES: C1=CC=C(C(=C1)C(=O)OOC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: chloro 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
CAS Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid chloro ester
IUPAC NAME: chloro 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
SYSTEMATIC NAME: chloranyl 3-[2-chloranyl-4-(trifluoromethyl)phenoxy]benzoate
MOLECULAR FORMULA: C14H7Cl2F3O3
MOLECULAR WEIGHT: 351.10479
SMILES: C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)OCl
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Product OPENEYE NAME: 5-[5-chloro-2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[5-chloro-2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
IUPAC NAME: 5-[5-chloro-2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 5-[5-chloranyl-2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C15H5ClF3N2O5-
MOLECULAR WEIGHT: 385.65881
SMILES: C1=CC(=C(C=C1OC2=CC(=C(C=C2C#N)C(F)(F)F)Cl)C(=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 5-[5-chloro-2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid
CAS Name: 5-[5-chloro-2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
IUPAC NAME: 5-[5-chloro-2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
SYSTEMATIC NAME: 5-[5-chloranyl-2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid
MOLECULAR FORMULA: C15H6ClF3N2O5
MOLECULAR WEIGHT: 386.66675
SMILES: C1=CC(=C(C=C1OC2=CC(=C(C=C2C#N)C(F)(F)F)Cl)C(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: nitro 3-(2-amino-3,5,6-trifluoro-4-methyl-phenoxy)benzoate
CAS Name: 3-(2-amino-3,5,6-trifluoro-4-methylphenoxy)benzoic acid nitro ester
IUPAC NAME: nitro 3-(2-amino-3,5,6-trifluoro-4-methylphenoxy)benzoate
SYSTEMATIC NAME: nitro 3-[2-azanyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]benzoate
MOLECULAR FORMULA: C14H9F3N2O5
MOLECULAR WEIGHT: 342.22687
SMILES: CC1=C(C(=C(C(=C1F)F)OC2=CC=CC(=C2)C(=O)O[N+](=O)[O-])N)F
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Product OPENEYE NAME: O-ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarbothioate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarbothioic acid O-ethyl ester
IUPAC NAME: O-ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarbothioate
SYSTEMATIC NAME: O-ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarbothioate
MOLECULAR FORMULA: C16H11ClF3NO4S
MOLECULAR WEIGHT: 405.77605
SMILES: CCOC(=S)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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