All Chemical Compounds

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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All Chemical Compounds Information

Product OPENEYE NAME: trimethylsilyl 2-chloro-3,3-dimethyl-butanoate
CAS Name: 2-chloro-3,3-dimethylbutanoic acid trimethylsilyl ester
IUPAC NAME: trimethylsilyl 2-chloro-3,3-dimethylbutanoate
SYSTEMATIC NAME: trimethylsilyl 2-chloranyl-3,3-dimethyl-butanoate
MOLECULAR FORMULA: C9H19ClO2Si
MOLECULAR WEIGHT: 222.78446
SMILES: CC(C)(C)C(C(=O)O[Si](C)(C)C)Cl
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Product OPENEYE NAME: (E)-4-[3,4-dihydroxy-5-[[3-(2-hydroxy-1-methyl-propyl)oxiran-2-yl]methyl]tetrahydropyran-2-yl]-2-fluoro-3-methyl-but-2-enoic acid
CAS Name: (E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)-2-oxiranyl]methyl]-2-oxanyl]-2-fluoro-3-methyl-2-butenoic acid
IUPAC NAME: (E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-fluoro-3-methylbut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[3,4-bis(oxidanyl)-5-[[3-(3-oxidanylbutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-fluoranyl-3-methyl-but-2-enoic acid
MOLECULAR FORMULA: C17H27FO7
MOLECULAR WEIGHT: 362.390483
SMILES: CC(C1C(O1)CC2COC(C(C2O)O)C/C(=C(\C(=O)O)/F)/C)C(C)O
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Product OPENEYE NAME: (3-nitrophenyl)methyl (E)-4-[3,4-dihydroxy-5-[[3-(2-hydroxy-1-methyl-propyl)oxiran-2-yl]methyl]tetrahydropyran-2-yl]-2-fluoro-3-methyl-but-2-enoate
CAS Name: (E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)-2-oxiranyl]methyl]-2-oxanyl]-2-fluoro-3-methyl-2-butenoic acid (3-nitrophenyl)methyl ester
IUPAC NAME: (3-nitrophenyl)methyl (E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-fluoro-3-methylbut-2-enoate
SYSTEMATIC NAME: (3-nitrophenyl)methyl (E)-4-[3,4-bis(oxidanyl)-5-[[3-(3-oxidanylbutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-fluoranyl-3-methyl-but-2-enoate
MOLECULAR FORMULA: C24H32FNO9
MOLECULAR WEIGHT: 497.510583
SMILES: CC(C1C(O1)CC2COC(C(C2O)O)C/C(=C(\C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])/F)/C)C(C)O
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Product OPENEYE NAME: (4-bromo-5-oxo-2H-pyran-2-yl) acetate
CAS Name: acetic acid (4-bromo-5-oxo-2H-pyran-2-yl) ester
IUPAC NAME: (4-bromo-5-oxo-2H-pyran-2-yl) acetate
SYSTEMATIC NAME: (4-bromanyl-5-oxidanylidene-2H-pyran-2-yl) ethanoate
MOLECULAR FORMULA: C7H7BrO4
MOLECULAR WEIGHT: 235.03208
SMILES: CC(=O)OC1C=C(C(=O)CO1)Br
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Product OPENEYE NAME: 4-chloro-2-hydroxy-6-methyl-2H-pyran-5-one
CAS Name: 4-chloro-2-hydroxy-6-methyl-2H-pyran-5-one
IUPAC NAME: 4-chloro-2-hydroxy-6-methyl-2H-pyran-5-one
SYSTEMATIC NAME: 4-chloranyl-6-methyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C6H7ClO3
MOLECULAR WEIGHT: 162.57098
SMILES: CC1C(=O)C(=CC(O1)O)Cl
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Product OPENEYE NAME: 4-bromo-2-[(4-bromo-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-6-methyl-2H-pyran-5-one
CAS Name: 4-bromo-2-[(4-bromo-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-6-methyl-2H-pyran-5-one
IUPAC NAME: 4-bromo-2-[(4-bromo-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-6-methyl-2H-pyran-5-one
SYSTEMATIC NAME: 4-bromanyl-2-[(4-bromanyl-6-methyl-5-oxidanylidene-2H-pyran-2-yl)oxy]-6-methyl-2H-pyran-5-one
MOLECULAR FORMULA: C12H12Br2O5
MOLECULAR WEIGHT: 396.02868
SMILES: CC1C(=O)C(=CC(O1)OC2C=C(C(=O)C(O2)C)Br)Br
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Product OPENEYE NAME: 4-bromo-6-ethyl-2-hydroxy-2H-pyran-5-one
CAS Name: 4-bromo-6-ethyl-2-hydroxy-2H-pyran-5-one
IUPAC NAME: 4-bromo-6-ethyl-2-hydroxy-2H-pyran-5-one
SYSTEMATIC NAME: 4-bromanyl-6-ethyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C7H9BrO3
MOLECULAR WEIGHT: 221.04856
SMILES: CCC1C(=O)C(=CC(O1)O)Br
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Product OPENEYE NAME: 2H-pyran-2-yl 3-chlorobenzoate
CAS Name: 3-chlorobenzoic acid 2H-pyran-2-yl ester
IUPAC NAME: 2H-pyran-2-yl 3-chlorobenzoate
SYSTEMATIC NAME: 2H-pyran-2-yl 3-chloranylbenzoate
MOLECULAR FORMULA: C12H9ClO3
MOLECULAR WEIGHT: 236.65106
SMILES: C1=CC(OC=C1)OC(=O)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 4-bromo-2-hydroxy-6-methyl-2H-pyran-5-one
CAS Name: 4-bromo-2-hydroxy-6-methyl-2H-pyran-5-one
IUPAC NAME: 4-bromo-2-hydroxy-6-methyl-2H-pyran-5-one
SYSTEMATIC NAME: 4-bromanyl-6-methyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C6H7BrO3
MOLECULAR WEIGHT: 207.02198
SMILES: CC1C(=O)C(=CC(O1)O)Br
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Product OPENEYE NAME: 4-chloro-2-hydroxy-2H-pyran-5-one
CAS Name: 4-chloro-2-hydroxy-2H-pyran-5-one
IUPAC NAME: 4-chloro-2-hydroxy-2H-pyran-5-one
SYSTEMATIC NAME: 4-chloranyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C5H5ClO3
MOLECULAR WEIGHT: 148.5444
SMILES: C1C(=O)C(=CC(O1)O)Cl
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Product OPENEYE NAME: 4-bromo-2-hydroxy-2H-pyran-5-one
CAS Name: 4-bromo-2-hydroxy-2H-pyran-5-one
IUPAC NAME: 4-bromo-2-hydroxy-2H-pyran-5-one
SYSTEMATIC NAME: 4-bromanyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C5H5BrO3
MOLECULAR WEIGHT: 192.9954
SMILES: C1C(=O)C(=CC(O1)O)Br
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Product OPENEYE NAME: 4-chloro-6-ethyl-2-hydroxy-2H-pyran-5-one
CAS Name: 4-chloro-6-ethyl-2-hydroxy-2H-pyran-5-one
IUPAC NAME: 4-chloro-6-ethyl-2-hydroxy-2H-pyran-5-one
SYSTEMATIC NAME: 4-chloranyl-6-ethyl-2-oxidanyl-2H-pyran-5-one
MOLECULAR FORMULA: C7H9ClO3
MOLECULAR WEIGHT: 176.59756
SMILES: CCC1C(=O)C(=CC(O1)O)Cl
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Product OPENEYE NAME: 1-(5-methyl-2-furyl)propan-2-ol
CAS Name: 1-(5-methyl-2-furanyl)-2-propanol
IUPAC NAME: 1-(5-methylfuran-2-yl)propan-2-ol
SYSTEMATIC NAME: 1-(5-methylfuran-2-yl)propan-2-ol
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC1=CC=C(O1)CC(C)O
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Product OPENEYE NAME: 6-methoxy-5,6-dimethyl-heptane-1,2,3,4,5-pentol
CAS Name: 6-methoxy-5,6-dimethylheptane-1,2,3,4,5-pentol
IUPAC NAME: 6-methoxy-5,6-dimethylheptane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 6-methoxy-5,6-dimethyl-heptane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C10H22O6
MOLECULAR WEIGHT: 238.27808
SMILES: CC(C)(C(C)(C(C(C(CO)O)O)O)O)OC
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Product OPENEYE NAME: 2-(2-hydroxy-1-methoxy-1-methyl-ethyl)-2,3-dimethyl-tetrahydrofuran-3,4-diol
CAS Name: 2-(1-hydroxy-2-methoxypropan-2-yl)-2,3-dimethyloxolane-3,4-diol
IUPAC NAME: 2-(1-hydroxy-2-methoxypropan-2-yl)-2,3-dimethyloxolane-3,4-diol
SYSTEMATIC NAME: 2-(2-methoxy-1-oxidanyl-propan-2-yl)-2,3-dimethyl-oxolane-3,4-diol
MOLECULAR FORMULA: C10H20O5
MOLECULAR WEIGHT: 220.2628
SMILES: CC1(C(COC1(C)C(C)(CO)OC)O)O
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Product OPENEYE NAME: 5,6-dimethoxy-4,5,6-trimethyl-heptane-1,2,3,4-tetrol
CAS Name: 5,6-dimethoxy-4,5,6-trimethylheptane-1,2,3,4-tetrol
IUPAC NAME: 5,6-dimethoxy-4,5,6-trimethylheptane-1,2,3,4-tetrol
SYSTEMATIC NAME: 5,6-dimethoxy-4,5,6-trimethyl-heptane-1,2,3,4-tetrol
MOLECULAR FORMULA: C12H26O6
MOLECULAR WEIGHT: 266.33124
SMILES: CC(C)(C(C)(C(C)(C(C(CO)O)O)O)OC)OC
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Product OPENEYE NAME: 2-[1-ethoxy-1-(hydroxymethyl)propyl]-2,3-diethyl-tetrahydrofuran-3,4-diol
CAS Name: 2-(2-ethoxy-1-hydroxybutan-2-yl)-2,3-diethyloxolane-3,4-diol
IUPAC NAME: 2-(2-ethoxy-1-hydroxybutan-2-yl)-2,3-diethyloxolane-3,4-diol
SYSTEMATIC NAME: 2-(2-ethoxy-1-oxidanyl-butan-2-yl)-2,3-diethyl-oxolane-3,4-diol
MOLECULAR FORMULA: C14H28O5
MOLECULAR WEIGHT: 276.36912
SMILES: CCC1(C(COC1(CC)C(CC)(CO)OCC)O)O
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All Chemical Compounds Information

Product OPENEYE NAME: 4-carbamoyl-2,6-diiodo-phenolate
CAS Name: 4-carbamoyl-2,6-diiodophenolate
IUPAC NAME: 4-carbamoyl-2,6-diiodophenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2,6-bis(iodanyl)phenolate
MOLECULAR FORMULA: C7H4I2NO2-
MOLECULAR WEIGHT: 387.9211
SMILES: C1=C(C=C(C(=C1I)[O-])I)C(=O)N
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Product OPENEYE NAME: 4-carbamoyl-2,6-dichloro-3-hydroxy-phenolate
CAS Name: 4-carbamoyl-2,6-dichloro-3-hydroxyphenolate
IUPAC NAME: 4-carbamoyl-2,6-dichloro-3-hydroxyphenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2,6-bis(chloranyl)-3-oxidanyl-phenolate
MOLECULAR FORMULA: C7H4Cl2NO3-
MOLECULAR WEIGHT: 221.01756
SMILES: C1=C(C(=C(C(=C1Cl)[O-])Cl)O)C(=O)N
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Product OPENEYE NAME: 3,5-dichloro-2,4-dihydroxy-benzamide
CAS Name: 3,5-dichloro-2,4-dihydroxybenzamide
IUPAC NAME: 3,5-dichloro-2,4-dihydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(chloranyl)-2,4-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C7H5Cl2NO3
MOLECULAR WEIGHT: 222.0255
SMILES: C1=C(C(=C(C(=C1Cl)O)Cl)O)C(=O)N
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Product OPENEYE NAME: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C14H12IN5O
MOLECULAR WEIGHT: 393.18245
SMILES: C1=CC(=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2)I
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Product OPENEYE NAME: 4-carbamoyl-2-iodo-phenolate
CAS Name: 4-carbamoyl-2-iodophenolate
IUPAC NAME: 4-carbamoyl-2-iodophenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2-iodanyl-phenolate
MOLECULAR FORMULA: C7H5INO2-
MOLECULAR WEIGHT: 262.02457
SMILES: C1=CC(=C(C=C1C(=O)N)I)[O-]
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Product OPENEYE NAME: tert-butyl 2-(4-benzyloxyphenyl)acetate
CAS Name: 2-(4-phenylmethoxyphenyl)acetic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-(4-phenylmethoxyphenyl)acetate
SYSTEMATIC NAME: tert-butyl 2-(4-phenylmethoxyphenyl)ethanoate
MOLECULAR FORMULA: C19H22O3
MOLECULAR WEIGHT: 298.37618
SMILES: CC(C)(C)OC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2
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Product OPENEYE NAME: N-[2-[(2-amino-1-benzyl-2-oxo-ethyl)-propyl-amino]-2-oxo-ethyl]-5-benzyl-6-oxo-piperazine-2-carboxamide
CAS Name: N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)-propylamino]-2-oxoethyl]-6-oxo-5-(phenylmethyl)-2-piperazinecarboxamide
IUPAC NAME: N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)-propylamino]-2-oxoethyl]-5-benzyl-6-oxopiperazine-2-carboxamide
SYSTEMATIC NAME: N-[2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-propyl-amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-5-(phenylmethyl)piperazine-2-carboxamide
MOLECULAR FORMULA: C26H33N5O4
MOLECULAR WEIGHT: 479.57132
SMILES: CCCN(C(CC1=CC=CC=C1)C(=O)N)C(=O)CNC(=O)C2CNC(C(=O)N2)CC3=CC=CC=C3
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Product OPENEYE NAME: 2-[3-[(4-fluorophenyl)methyl]-2-oxo-piperazin-1-yl]acetic acid
CAS Name: 2-[3-[(4-fluorophenyl)methyl]-2-oxo-1-piperazinyl]acetic acid
IUPAC NAME: 2-[3-[(4-fluorophenyl)methyl]-2-oxopiperazin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[3-[(4-fluorophenyl)methyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid
MOLECULAR FORMULA: C13H15FN2O3
MOLECULAR WEIGHT: 266.268203
SMILES: C1CN(C(=O)C(N1)CC2=CC=C(C=C2)F)CC(=O)O
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Product OPENEYE NAME: N-ethyl-3-(4-fluorophenyl)-2-[[2-[[2-[3-[(4-fluorophenyl)-hydroxy-methyl]-2-oxo-piperazin-1-yl]acetyl]amino]acetyl]amino]propanamide
CAS Name: N-ethyl-3-(4-fluorophenyl)-2-[[2-[[2-[3-[(4-fluorophenyl)-hydroxymethyl]-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-1-oxoethyl]amino]propanamide
IUPAC NAME: N-ethyl-3-(4-fluorophenyl)-2-[[2-[[2-[3-[(4-fluorophenyl)-hydroxymethyl]-2-oxopiperazin-1-yl]acetyl]amino]acetyl]amino]propanamide
SYSTEMATIC NAME: N-ethyl-3-(4-fluorophenyl)-2-[2-[2-[3-[(4-fluorophenyl)-oxidanyl-methyl]-2-oxidanylidene-piperazin-1-yl]ethanoylamino]ethanoylamino]propanamide
MOLECULAR FORMULA: C26H31F2N5O5
MOLECULAR WEIGHT: 531.551646
SMILES: CCNC(=O)C(CC1=CC=C(C=C1)F)NC(=O)CNC(=O)CN2CCNC(C2=O)C(C3=CC=C(C=C3)F)O
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Product OPENEYE NAME: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol
CAS Name: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol
IUPAC NAME: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol
SYSTEMATIC NAME: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol
MOLECULAR FORMULA: C16H22NO2+
MOLECULAR WEIGHT: 260.35138
SMILES: C[N+]1(CCC2CCCC=C2C1O)C3=CC(=CC=C3)O
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Product OPENEYE NAME: 4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
CAS Name: 4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
IUPAC NAME: 4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
SYSTEMATIC NAME: 4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CN1CCC2(CCCC=C2C1O)C3=CC(=CC=C3)O
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Product OPENEYE NAME: 2,3,4,4a,5,7,8,8a-octahydroisoquinoline-1,6-dione
CAS Name: 2,3,4,4a,5,7,8,8a-octahydroisoquinoline-1,6-dione
IUPAC NAME: 2,3,4,4a,5,7,8,8a-octahydroisoquinoline-1,6-dione
SYSTEMATIC NAME: 2,3,4,4a,5,7,8,8a-octahydroisoquinoline-1,6-dione
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: C1CC(=O)CC2C1C(=O)NCC2
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Product OPENEYE NAME: ethyl N-[4-(3-methoxyphenyl)-6-oxo-3-piperidyl]carbamate
CAS Name: N-[4-(3-methoxyphenyl)-6-oxo-3-piperidinyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[4-(3-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
SYSTEMATIC NAME: ethyl N-[4-(3-methoxyphenyl)-6-oxidanylidene-piperidin-3-yl]carbamate
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: CCOC(=O)NC1CNC(=O)CC1C2=CC(=CC=C2)OC
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Product OPENEYE NAME: 4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
CAS Name: 4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
IUPAC NAME: 4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
SYSTEMATIC NAME: 4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CN1CCC2(CCCC=C2C1O)C3=CC(=CC=C3)OC
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Product OPENEYE NAME: 4-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
CAS Name: 4-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
IUPAC NAME: 4-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
SYSTEMATIC NAME: 4-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CN1CC2CCC(CC2C(C1)C3=CC(=CC=C3)OC)O
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Product OPENEYE NAME: 1-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-3-ol
CAS Name: 1-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-3-ol
IUPAC NAME: 1-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-3-ol
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-3-ol
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CN1C(CC2CCCC=C2C1C3=CC(=CC=C3)OC)O
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Product OPENEYE NAME: 4-(3-methoxyphenyl)-1,3-dimethyl-pyridin-2-one
CAS Name: 4-(3-methoxyphenyl)-1,3-dimethyl-2-pyridinone
IUPAC NAME: 4-(3-methoxyphenyl)-1,3-dimethylpyridin-2-one
SYSTEMATIC NAME: 4-(3-methoxyphenyl)-1,3-dimethyl-pyridin-2-one
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC1=C(C=CN(C1=O)C)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: 1-(3-methyl-2-thienyl)-4H-pyridine
CAS Name: 1-(3-methyl-2-thiophenyl)-4H-pyridine
IUPAC NAME: 1-(3-methylthiophen-2-yl)-4H-pyridine
SYSTEMATIC NAME: 1-(3-methylthiophen-2-yl)-4H-pyridine
MOLECULAR FORMULA: C10H11NS
MOLECULAR WEIGHT: 177.26604
SMILES: CC1=C(SC=C1)N2C=CCC=C2
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Product OPENEYE NAME: 2-bis(methylsulfanyl)phosphinothioyl-2-phenyl-acetic acid
CAS Name: 2-bis(methylthio)phosphinothioyl-2-phenylacetic acid
IUPAC NAME: 2-bis(methylsulfanyl)phosphinothioyl-2-phenylacetic acid
SYSTEMATIC NAME: 2-bis(methylsulfanyl)phosphinothioyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C10H13O2PS3
MOLECULAR WEIGHT: 292.377781
SMILES: CSP(=S)(C(C1=CC=CC=C1)C(=O)O)SC
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Product OPENEYE NAME: 6-fluorospiro[chromane-4,4'-imidazolidine]
CAS Name: 6-fluorospiro[3,4-dihydro-2H-1-benzopyran-4,4'-imidazolidine]
IUPAC NAME: 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazolidine]
SYSTEMATIC NAME: 6-fluoranylspiro[2,3-dihydrochromene-4,4'-imidazolidine]
MOLECULAR FORMULA: C11H13FN2O
MOLECULAR WEIGHT: 208.232123
SMILES: C1COC2=C(C13CNCN3)C=C(C=C2)F
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Product OPENEYE NAME: tert-butyl (E)-2-chloro-4-[3,4-dihydroxy-5-[[3-(2-hydroxy-1-methyl-propyl)oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoate
CAS Name: (E)-2-chloro-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-2-butenoic acid tert-butyl ester
IUPAC NAME: tert-butyl (E)-2-chloro-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoate
SYSTEMATIC NAME: tert-butyl (E)-4-[3,4-bis(oxidanyl)-5-[[3-(3-oxidanylbutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-chloranyl-3-methyl-but-2-enoate
MOLECULAR FORMULA: C21H35ClO7
MOLECULAR WEIGHT: 434.9514
SMILES: CC(C1C(O1)CC2COC(C(C2O)O)C/C(=C(\C(=O)OC(C)(C)C)/Cl)/C)C(C)O
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Thursday, August 15, 2013

All Chemical Compounds Information

Product OPENEYE NAME: 4-carbamoyl-2,6-dichloro-phenolate
CAS Name: 4-carbamoyl-2,6-dichlorophenolate
IUPAC NAME: 4-carbamoyl-2,6-dichlorophenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2,6-bis(chloranyl)phenolate
MOLECULAR FORMULA: C7H4Cl2NO2-
MOLECULAR WEIGHT: 205.01816
SMILES: C1=C(C=C(C(=C1Cl)[O-])Cl)C(=O)N
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Product OPENEYE NAME: 3-carbamoyl-4-hydroxy-2,5,6-triiodo-phenolate
CAS Name: 3-carbamoyl-4-hydroxy-2,5,6-triiodophenolate
IUPAC NAME: 3-carbamoyl-4-hydroxy-2,5,6-triiodophenolate
SYSTEMATIC NAME: 3-aminocarbonyl-2,5,6-tris(iodanyl)-4-oxidanyl-phenolate
MOLECULAR FORMULA: C7H3I3NO3-
MOLECULAR WEIGHT: 529.81703
SMILES: C1(=C(C(=C(C(=C1I)[O-])I)I)O)C(=O)N
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Product OPENEYE NAME: 2,5-dihydroxy-3,4,6-triiodo-benzamide
CAS Name: 2,5-dihydroxy-3,4,6-triiodobenzamide
IUPAC NAME: 2,5-dihydroxy-3,4,6-triiodobenzamide
SYSTEMATIC NAME: 2,4,5-tris(iodanyl)-3,6-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C7H4I3NO3
MOLECULAR WEIGHT: 530.82497
SMILES: C1(=C(C(=C(C(=C1I)O)I)I)O)C(=O)N
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Product OPENEYE NAME: 5-carbamoyl-2-hydroxy-3,4,6-triiodo-phenolate
CAS Name: 5-carbamoyl-2-hydroxy-3,4,6-triiodophenolate
IUPAC NAME: 5-carbamoyl-2-hydroxy-3,4,6-triiodophenolate
SYSTEMATIC NAME: 3-aminocarbonyl-2,4,5-tris(iodanyl)-6-oxidanyl-phenolate
MOLECULAR FORMULA: C7H3I3NO3-
MOLECULAR WEIGHT: 529.81703
SMILES: C1(=C(C(=C(C(=C1I)I)O)[O-])I)C(=O)N
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Product OPENEYE NAME: 3,4-dihydroxy-2,5,6-triiodo-benzamide
CAS Name: 3,4-dihydroxy-2,5,6-triiodobenzamide
IUPAC NAME: 3,4-dihydroxy-2,5,6-triiodobenzamide
SYSTEMATIC NAME: 2,3,6-tris(iodanyl)-4,5-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C7H4I3NO3
MOLECULAR WEIGHT: 530.82497
SMILES: C1(=C(C(=C(C(=C1I)I)O)O)I)C(=O)N
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Product OPENEYE NAME: 4-[amino(methoxy)methylene]-2,6-diiodo-cyclohexa-2,5-dien-1-one hydrochloride
CAS Name: 4-[amino(methoxy)methylidene]-2,6-diiodo-1-cyclohexa-2,5-dienone hydrochloride
IUPAC NAME: 4-[amino(methoxy)methylidene]-2,6-diiodocyclohexa-2,5-dien-1-one hydrochloride
SYSTEMATIC NAME: 4-[azanyl(methoxy)methylidene]-2,6-bis(iodanyl)cyclohexa-2,5-dien-1-one hydrochloride
MOLECULAR FORMULA: C8H8ClI2NO2
MOLECULAR WEIGHT: 439.41656
SMILES: COC(=C1C=C(C(=O)C(=C1)I)I)N.Cl
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Product OPENEYE NAME: 2,6-dibromo-4-carbamoyl-phenolate
CAS Name: 2,6-dibromo-4-carbamoylphenolate
IUPAC NAME: 2,6-dibromo-4-carbamoylphenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2,6-bis(bromanyl)phenolate
MOLECULAR FORMULA: C7H4Br2NO2-
MOLECULAR WEIGHT: 293.92016
SMILES: C1=C(C=C(C(=C1Br)[O-])Br)C(=O)N
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Product OPENEYE NAME: 2-(4-hydroxy-3,5-diiodo-phenyl)ethanimidate
CAS Name: 2-(4-hydroxy-3,5-diiodophenyl)ethanimidate
IUPAC NAME: 2-(4-hydroxy-3,5-diiodophenyl)ethanimidate
SYSTEMATIC NAME: 2-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]ethanimidate
MOLECULAR FORMULA: C8H6I2NO2-
MOLECULAR WEIGHT: 401.94768
SMILES: C1=C(C=C(C(=C1I)O)I)CC(=N)[O-]
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Product OPENEYE NAME: 2-(4-hydroxy-3,5-diiodo-phenyl)acetamide
CAS Name: 2-(4-hydroxy-3,5-diiodophenyl)acetamide
IUPAC NAME: 2-(4-hydroxy-3,5-diiodophenyl)acetamide
SYSTEMATIC NAME: 2-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]ethanamide
MOLECULAR FORMULA: C8H7I2NO2
MOLECULAR WEIGHT: 402.95562
SMILES: C1=C(C=C(C(=C1I)O)I)CC(=O)N
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Product OPENEYE NAME: 2,6-dibromo-4-carbamoyl-3-hydroxy-phenolate
CAS Name: 2,6-dibromo-4-carbamoyl-3-hydroxyphenolate
IUPAC NAME: 2,6-dibromo-4-carbamoyl-3-hydroxyphenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2,6-bis(bromanyl)-3-oxidanyl-phenolate
MOLECULAR FORMULA: C7H4Br2NO3-
MOLECULAR WEIGHT: 309.91956
SMILES: C1=C(C(=C(C(=C1Br)[O-])Br)O)C(=O)N
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Product OPENEYE NAME: 3,5-dibromo-2,4-dihydroxy-benzamide
CAS Name: 3,5-dibromo-2,4-dihydroxybenzamide
IUPAC NAME: 3,5-dibromo-2,4-dihydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-2,4-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C7H5Br2NO3
MOLECULAR WEIGHT: 310.9275
SMILES: C1=C(C(=C(C(=C1Br)O)Br)O)C(=O)N
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Product OPENEYE NAME: 2-amino-5-(aminomethyl)pyrrolo[2,3-d]pyrimidin-4-one dihydrochloride
CAS Name: 2-amino-5-(aminomethyl)-4-pyrrolo[2,3-d]pyrimidinone dihydrochloride
IUPAC NAME: 2-amino-5-(aminomethyl)pyrrolo[2,3-d]pyrimidin-4-one dihydrochloride
SYSTEMATIC NAME: 5-(aminomethyl)-2-azanyl-pyrrolo[2,3-d]pyrimidin-4-one dihydrochloride
MOLECULAR FORMULA: C7H9Cl2N5O
MOLECULAR WEIGHT: 250.08526
SMILES: C1=NC2=NC(=NC(=O)C2=C1CN)N.Cl.Cl
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Product OPENEYE NAME: 3,5-dichloro-2,4-dihydroxy-benzaldehyde
CAS Name: 3,5-dichloro-2,4-dihydroxybenzaldehyde
IUPAC NAME: 3,5-dichloro-2,4-dihydroxybenzaldehyde
SYSTEMATIC NAME: 3,5-bis(chloranyl)-2,4-bis(oxidanyl)benzaldehyde
MOLECULAR FORMULA: C7H4Cl2O3
MOLECULAR WEIGHT: 207.01086
SMILES: C1=C(C(=C(C(=C1Cl)O)Cl)O)C=O
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Product OPENEYE NAME: 4-carbamoyl-3-hydroxy-2,6-diiodo-phenolate
CAS Name: 4-carbamoyl-3-hydroxy-2,6-diiodophenolate
IUPAC NAME: 4-carbamoyl-3-hydroxy-2,6-diiodophenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2,6-bis(iodanyl)-3-oxidanyl-phenolate
MOLECULAR FORMULA: C7H4I2NO3-
MOLECULAR WEIGHT: 403.9205
SMILES: C1=C(C(=C(C(=C1I)[O-])I)O)C(=O)N
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Product OPENEYE NAME: 2,4-dihydroxy-3,5-diiodo-benzamide
CAS Name: 2,4-dihydroxy-3,5-diiodobenzamide
IUPAC NAME: 2,4-dihydroxy-3,5-diiodobenzamide
SYSTEMATIC NAME: 3,5-bis(iodanyl)-2,4-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C7H5I2NO3
MOLECULAR WEIGHT: 404.92844
SMILES: C1=C(C(=C(C(=C1I)O)I)O)C(=O)N
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All Chemical Compounds Information

Product OPENEYE NAME: 2-amino-5-[[(4-hydroxyphenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[[(4-hydroxyphenyl)methylamino]methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[[(4-hydroxyphenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[(4-hydroxyphenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C14H13N5O2
MOLECULAR WEIGHT: 283.28532
SMILES: C1=CC(=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2)O
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Product OPENEYE NAME: 4-[[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzonitrile
CAS Name: 4-[[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]methyl]benzonitrile
IUPAC NAME: 4-[[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzonitrile
SYSTEMATIC NAME: 4-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H12N6O
MOLECULAR WEIGHT: 292.29538
SMILES: C1=CC(=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2)C#N
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Product OPENEYE NAME: 2-amino-5-[(cyclopentylamino)methyl]-3-(isopropoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[(cyclopentylamino)methyl]-3-(propan-2-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
IUPAC NAME: 2-amino-5-[(cyclopentylamino)methyl]-3-(propan-2-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[(cyclopentylamino)methyl]-3-(propan-2-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C16H25N5O2
MOLECULAR WEIGHT: 319.402
SMILES: CC(C)OCN1C(=O)C2=C(NC=C2CNC3CCCC3)N=C1N
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Product OPENEYE NAME: 2-amino-5-[(cyclopentylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[(cyclopentylamino)methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[(cyclopentylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[(cyclopentylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H15N5O
MOLECULAR WEIGHT: 245.2804
SMILES: C1CCC(C1)NCC2=C3C(=NC(=NC3=O)N)N=C2
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Product OPENEYE NAME: 2-amino-5-(propylaminomethyl)pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-(propylaminomethyl)-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-(propylaminomethyl)pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-(propylaminomethyl)pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C10H13N5O
MOLECULAR WEIGHT: 219.24312
SMILES: CCCNCC1=C2C(=NC(=NC2=O)N)N=C1
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Product OPENEYE NAME: 2-amino-5-[[(3-nitrophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[[(3-nitrophenyl)methylamino]methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[[(3-nitrophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[(3-nitrophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C14H12N6O3
MOLECULAR WEIGHT: 312.28348
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CNCC2=C3C(=NC(=NC3=O)N)N=C2
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Product OPENEYE NAME: 2-amino-5-[(benzylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[[(phenylmethyl)amino]methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[(benzylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[(phenylmethyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C14H13N5O
MOLECULAR WEIGHT: 267.28592
SMILES: C1=CC=C(C=C1)CNCC2=C3C(=NC(=NC3=O)N)N=C2
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Product OPENEYE NAME: N-[4-[[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl]acetamide
CAS Name: N-[4-[[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]methyl]phenyl]acetamide
IUPAC NAME: N-[4-[[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H16N6O2
MOLECULAR WEIGHT: 324.33724
SMILES: CC(=O)NC1=CC=C(C=C1)CNCC2=C3C(=NC(=NC3=O)N)N=C2
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Product OPENEYE NAME: 5-[(allylamino)methyl]-2-amino-pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[(prop-2-enylamino)methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[(prop-2-enylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[(prop-2-enylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C10H11N5O
MOLECULAR WEIGHT: 217.22724
SMILES: C=CCNCC1=C2C(=NC(=NC2=O)N)N=C1
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Product OPENEYE NAME: 2-amino-5-(anilinomethyl)-7-benzyl-3-(isopropoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-(anilinomethyl)-7-(phenylmethyl)-3-(propan-2-yloxymethyl)-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-(anilinomethyl)-7-benzyl-3-(propan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-(phenylazanylmethyl)-7-(phenylmethyl)-3-(propan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C24H27N5O2
MOLECULAR WEIGHT: 417.50348
SMILES: CC(C)OCN1C(=O)C2=C(N=C1N)N(C=C2CNC3=CC=CC=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: 2-amino-5-[[(4-methoxyphenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[[(4-methoxyphenyl)methylamino]methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[[(4-methoxyphenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[(4-methoxyphenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C15H15N5O2
MOLECULAR WEIGHT: 297.3119
SMILES: COC1=CC=C(C=C1)CNCC2=C3C(=NC(=NC3=O)N)N=C2
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Product OPENEYE NAME: 5-[[(4-acetylphenyl)methylamino]methyl]-2-amino-pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 5-[[(4-acetylphenyl)methylamino]methyl]-2-amino-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 5-[[(4-acetylphenyl)methylamino]methyl]-2-aminopyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[(4-ethanoylphenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C16H15N5O2
MOLECULAR WEIGHT: 309.3226
SMILES: CC(=O)C1=CC=C(C=C1)CNCC2=C3C(=NC(=NC3=O)N)N=C2
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Product OPENEYE NAME: 5-(1-piperidylmethyl)pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 5-(1-piperidinylmethyl)-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 5-(piperidin-1-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-(piperidin-1-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H14N4O
MOLECULAR WEIGHT: 230.26576
SMILES: C1CCN(CC1)CC2=C3C(=NC=NC3=O)N=C2
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Product OPENEYE NAME: 2-amino-5-(1-piperidylmethyl)pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-(1-piperidinylmethyl)-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-(piperidin-1-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-(piperidin-1-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H15N5O
MOLECULAR WEIGHT: 245.2804
SMILES: C1CCN(CC1)CC2=C3C(=NC(=NC3=O)N)N=C2
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Product OPENEYE NAME: isopropyl 4-[[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzoate
CAS Name: 4-[[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]methyl]benzoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 4-[[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzoate
SYSTEMATIC NAME: propan-2-yl 4-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]benzoate
MOLECULAR FORMULA: C18H19N5O3
MOLECULAR WEIGHT: 353.37516
SMILES: CC(C)OC(=O)C1=CC=C(C=C1)CNCC2=C3C(=NC(=NC3=O)N)N=C2
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Product OPENEYE NAME: 2-amino-5-(anilinomethyl)-3-(isopropoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-(anilinomethyl)-3-(propan-2-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
IUPAC NAME: 2-amino-5-(anilinomethyl)-3-(propan-2-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-(phenylazanylmethyl)-3-(propan-2-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C17H21N5O2
MOLECULAR WEIGHT: 327.38094
SMILES: CC(C)OCN1C(=O)C2=C(NC=C2CNC3=CC=CC=C3)N=C1N
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Product OPENEYE NAME: 2-amino-5-[[[2-(diethylamino)-1-methyl-ethyl]amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[[1-(diethylamino)propan-2-ylamino]methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[[1-(diethylamino)propan-2-ylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[1-(diethylamino)propan-2-ylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C14H22N6O
MOLECULAR WEIGHT: 290.36408
SMILES: CCN(CC)CC(C)NCC1=C2C(=NC(=NC2=O)N)N=C1
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Product OPENEYE NAME: 2-amino-5-[(cyclohex-2-en-1-ylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[(1-cyclohex-2-enylamino)methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[(cyclohex-2-en-1-ylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[(cyclohex-2-en-1-ylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C13H15N5O
MOLECULAR WEIGHT: 257.2911
SMILES: C1CC=CC(C1)NCC2=C3C(=NC(=NC3=O)N)N=C2
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Product OPENEYE NAME: 2-amino-5-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C15H12F3N5O
MOLECULAR WEIGHT: 335.28389
SMILES: C1=CC(=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2)C(F)(F)F
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All Chemical Compounds Information

Product OPENEYE NAME: 2,2-dibromo-2-phenyl-acetic acid
CAS Name: 2,2-dibromo-2-phenylacetic acid
IUPAC NAME: 2,2-dibromo-2-phenylacetic acid
SYSTEMATIC NAME: 2,2-bis(bromanyl)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C8H6Br2O2
MOLECULAR WEIGHT: 293.94004
SMILES: C1=CC=C(C=C1)C(C(=O)O)(Br)Br
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Product OPENEYE NAME: 2-bromo-3-ethyl-1,2-dihydropyridine
CAS Name: 2-bromo-3-ethyl-1,2-dihydropyridine
IUPAC NAME: 2-bromo-3-ethyl-1,2-dihydropyridine
SYSTEMATIC NAME: 2-bromanyl-3-ethyl-1,2-dihydropyridine
MOLECULAR FORMULA: C7H10BrN
MOLECULAR WEIGHT: 188.065
SMILES: CCC1=CC=CNC1Br
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Product OPENEYE NAME: N,N'-bis(4,6-diallyloxy-1,3,5-triazin-2-yl)-N,N'-bis(2,6-dibutyl-2,6-dimethyl-4-piperidyl)butane-1,4-diamine
CAS Name: N,N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N,N'-bis(2,6-dibutyl-2,6-dimethyl-4-piperidinyl)butane-1,4-diamine
IUPAC NAME: N,N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N,N'-bis(2,6-dibutyl-2,6-dimethylpiperidin-4-yl)butane-1,4-diamine
SYSTEMATIC NAME: N,N'-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N,N'-bis(2,6-dibutyl-2,6-dimethyl-piperidin-4-yl)butane-1,4-diamine
MOLECULAR FORMULA: C52H88N10O4
MOLECULAR WEIGHT: 917.31972
SMILES: CCCCC1(CC(CC(N1)(C)CCCC)N(CCCCN(C2CC(NC(C2)(C)CCCC)(C)CCCC)C3=NC(=NC(=N3)OCC=C)OCC=C)C4=NC(=NC(=N4)OCC=C)OCC=C)C
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Product OPENEYE NAME: N1,N4-bis(4,6-diallyloxy-1,3,5-triazin-2-yl)-N1,N4-bis(2,2,6,6-tetramethyl-4-piperidyl)benzene-1,4-diamine
CAS Name: N1,N4-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N1,N4-bis(2,2,6,6-tetramethyl-4-piperidinyl)benzene-1,4-diamine
IUPAC NAME: 1-N,4-N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-1-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
SYSTEMATIC NAME: N1,N4-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N1,N4-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
MOLECULAR FORMULA: C42H60N10O4
MOLECULAR WEIGHT: 768.9904
SMILES: CC1(CC(CC(N1)(C)C)N(C2=CC=C(C=C2)N(C3CC(NC(C3)(C)C)(C)C)C4=NC(=NC(=N4)OCC=C)OCC=C)C5=NC(=NC(=N5)OCC=C)OCC=C)C
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Product OPENEYE NAME: 4,6-diallyloxy-N-[1-[2-[2-[4-[(4,6-diallyloxy-1,3,5-triazin-2-yl)amino]-2,2,6,6-tetramethyl-1-piperidyl]ethylamino]ethyl]-2,2,6,6-tetramethyl-4-piperidyl]-1,3,5-triazin-2-amine
CAS Name: N-[1-[2-[2-[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethyl-1-piperidinyl]ethylamino]ethyl]-2,2,6,6-tetramethyl-4-piperidinyl]-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
IUPAC NAME: N-[1-[2-[2-[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethylamino]ethyl]-2,2,6,6-tetramethylpiperidin-4-yl]-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-[1-[2-[2-[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethyl-piperidin-1-yl]ethylamino]ethyl]-2,2,6,6-tetramethyl-piperidin-4-yl]-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C40H65N11O4
MOLECULAR WEIGHT: 764.0154
SMILES: CC1(CC(CC(N1CCNCCN2C(CC(CC2(C)C)NC3=NC(=NC(=N3)OCC=C)OCC=C)(C)C)(C)C)NC4=NC(=NC(=N4)OCC=C)OCC=C)C
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Product OPENEYE NAME: N1,N4-bis(4,6-diallyloxy-1,3,5-triazin-2-yl)-N1,N4-bis(2,2,6,6-tetramethyl-4-piperidyl)cyclohexane-1,4-diamine
CAS Name: N1,N4-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N1,N4-bis(2,2,6,6-tetramethyl-4-piperidinyl)cyclohexane-1,4-diamine
IUPAC NAME: 1-N,4-N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-1-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-diamine
SYSTEMATIC NAME: N1,N4-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-N1,N4-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-diamine
MOLECULAR FORMULA: C42H66N10O4
MOLECULAR WEIGHT: 775.03804
SMILES: CC1(CC(CC(N1)(C)C)N(C2CCC(CC2)N(C3CC(NC(C3)(C)C)(C)C)C4=NC(=NC(=N4)OCC=C)OCC=C)C5=NC(=NC(=N5)OCC=C)OCC=C)C
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Product OPENEYE NAME: 4,6-diallyloxy-N-[4-[[4-[(4,6-diallyloxy-1,3,5-triazin-2-yl)-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]cyclohexyl]methyl]cyclohexyl]-N-(1,2,2,6,6-pentamethyl-4-piperidyl)-1,3,5-triazin-2-amine
CAS Name: N-[4-[[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]cyclohexyl]methyl]cyclohexyl]-N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
IUPAC NAME: N-[4-[[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]cyclohexyl]methyl]cyclohexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-[4-[[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]cyclohexyl]methyl]cyclohexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C51H82N10O4
MOLECULAR WEIGHT: 899.26138
SMILES: CC1(CC(CC(N1C)(C)C)N(C2CCC(CC2)CC3CCC(CC3)N(C4CC(N(C(C4)(C)C)C)(C)C)C5=NC(=NC(=N5)OCC=C)OCC=C)C6=NC(=NC(=N6)OCC=C)OCC=C)C
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Product OPENEYE NAME: N,N-bis(4,6-diallyloxy-1,3,5-triazin-2-yl)-10,10,11,11-tetramethyl-1,4-diazabicyclo[5.3.1]undecan-8-amine
CAS Name: N,N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-10,10,11,11-tetramethyl-1,4-diazabicyclo[5.3.1]undecan-8-amine
IUPAC NAME: N,N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-10,10,11,11-tetramethyl-1,4-diazabicyclo[5.3.1]undecan-8-amine
SYSTEMATIC NAME: N,N-bis[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-10,10,11,11-tetramethyl-1,4-diazabicyclo[5.3.1]undecan-8-amine
MOLECULAR FORMULA: C31H45N9O4
MOLECULAR WEIGHT: 607.7469
SMILES: CC1(CC(C2CCNCCN1C2(C)C)N(C3=NC(=NC(=N3)OCC=C)OCC=C)C4=NC(=NC(=N4)OCC=C)OCC=C)C
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Product OPENEYE NAME: ethylene phosphite
CAS Name: ethene phosphite
IUPAC NAME: ethene phosphite
SYSTEMATIC NAME: ethene phosphite
MOLECULAR FORMULA: C6H12O3P-3
MOLECULAR WEIGHT: 163.131441
SMILES: C=C.C=C.C=C.[O-]P([O-])[O-]
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Product OPENEYE NAME: fumaric acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-4-(1-pyrrolidinyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
IUPAC NAME: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
MOLECULAR FORMULA: C20H29N5O4S
MOLECULAR WEIGHT: 435.54036
SMILES: CN1CCN(CC1)C2=NC3=C(C(=N2)N4CCCC4)SCCC3.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: boric acid; 2-methylaniline
CAS Name: boric acid; 2-methylaniline
IUPAC NAME: boric acid; 2-methylaniline
SYSTEMATIC NAME: boric acid; 2-methylaniline
MOLECULAR FORMULA: C7H12BNO3
MOLECULAR WEIGHT: 168.98608
SMILES: B(O)(O)O.CC1=CC=CC=C1N
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Product OPENEYE NAME: fumaric acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
CAS Name: (E)-2-butenedioic acid; 2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
IUPAC NAME: (E)-but-2-enedioic acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
MOLECULAR FORMULA: C19H27N5O4S
MOLECULAR WEIGHT: 421.51378
SMILES: C1CCN(C1)C2=NC(=NC3=C2SCCC3)N4CCNCC4.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 4-[2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]morpholine; fumaric acid
CAS Name: (E)-2-butenedioic acid; 4-[2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]morpholine
IUPAC NAME: 4-[2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]morpholine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[2-[4-(phenylmethyl)piperazin-1-yl]-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]morpholine
MOLECULAR FORMULA: C26H33N5O5S
MOLECULAR WEIGHT: 527.63572
SMILES: C1CC2=C(C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)N5CCOCC5)SC1.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 1,3-dimethyl-1-phenyl-3-(trifluoromethyl)urea
CAS Name: 1,3-dimethyl-1-phenyl-3-(trifluoromethyl)urea
IUPAC NAME: 1,3-dimethyl-1-phenyl-3-(trifluoromethyl)urea
SYSTEMATIC NAME: 1,3-dimethyl-1-phenyl-3-(trifluoromethyl)urea
MOLECULAR FORMULA: C10H11F3N2O
MOLECULAR WEIGHT: 232.20235
SMILES: CN(C1=CC=CC=C1)C(=O)N(C)C(F)(F)F
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Product OPENEYE NAME: 2-[phenyl(trifluoromethyl)carbamoyl]benzoic acid
CAS Name: 2-[oxo-[N-(trifluoromethyl)anilino]methyl]benzoic acid
IUPAC NAME: 2-[phenyl(trifluoromethyl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[phenyl(trifluoromethyl)carbamoyl]benzoic acid
MOLECULAR FORMULA: C15H10F3NO3
MOLECULAR WEIGHT: 309.24001
SMILES: C1=CC=C(C=C1)N(C(=O)C2=CC=CC=C2C(=O)O)C(F)(F)F
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Product OPENEYE NAME: 1-methyl-1-phenyl-3-(trifluoromethyl)urea
CAS Name: 1-methyl-1-phenyl-3-(trifluoromethyl)urea
IUPAC NAME: 1-methyl-1-phenyl-3-(trifluoromethyl)urea
SYSTEMATIC NAME: 1-methyl-1-phenyl-3-(trifluoromethyl)urea
MOLECULAR FORMULA: C9H9F3N2O
MOLECULAR WEIGHT: 218.17577
SMILES: CN(C1=CC=CC=C1)C(=O)NC(F)(F)F
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Product OPENEYE NAME: N-[1-(butylcarbamoyl)benzimidazol-2-yl]-N-methyl-carbamate
CAS Name: N-[1-[butylamino(oxo)methyl]-2-benzimidazolyl]-N-methylcarbamate
IUPAC NAME: N-[1-(butylcarbamoyl)benzimidazol-2-yl]-N-methylcarbamate
SYSTEMATIC NAME: N-[1-(butylcarbamoyl)benzimidazol-2-yl]-N-methyl-carbamate
MOLECULAR FORMULA: C14H17N4O3-
MOLECULAR WEIGHT: 289.30978
SMILES: CCCCNC(=O)N1C2=CC=CC=C2N=C1N(C)C(=O)[O-]
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Product OPENEYE NAME: [1-(butylcarbamoyl)benzimidazol-2-yl]-methyl-carbamic acid
CAS Name: [1-[butylamino(oxo)methyl]-2-benzimidazolyl]-methylcarbamic acid
IUPAC NAME: [1-(butylcarbamoyl)benzimidazol-2-yl]-methylcarbamic acid
SYSTEMATIC NAME: [1-(butylcarbamoyl)benzimidazol-2-yl]-methyl-carbamic acid
MOLECULAR FORMULA: C14H18N4O3
MOLECULAR WEIGHT: 290.31772
SMILES: CCCCNC(=O)N1C2=CC=CC=C2N=C1N(C)C(=O)O
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Product OPENEYE NAME: 1-butyl-3-[2-(butylcarbamoylamino)phenyl]urea
CAS Name: 1-butyl-3-[2-[[butylamino(oxo)methyl]amino]phenyl]urea
IUPAC NAME: 1-butyl-3-[2-(butylcarbamoylamino)phenyl]urea
SYSTEMATIC NAME: 1-butyl-3-[2-(butylcarbamoylamino)phenyl]urea
MOLECULAR FORMULA: C16H26N4O2
MOLECULAR WEIGHT: 306.40324
SMILES: CCCCNC(=O)NC1=CC=CC=C1NC(=O)NCCCC
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Product OPENEYE NAME: N-phenylmorpholine-2-carboxamide
CAS Name: N-phenyl-2-morpholinecarboxamide
IUPAC NAME: N-phenylmorpholine-2-carboxamide
SYSTEMATIC NAME: N-phenylmorpholine-2-carboxamide
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C1COC(CN1)C(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 1-(4-chloro-2-nitro-phenyl)-3-cyclohexyl-urea
CAS Name: 1-(4-chloro-2-nitrophenyl)-3-cyclohexylurea
IUPAC NAME: 1-(4-chloro-2-nitrophenyl)-3-cyclohexylurea
SYSTEMATIC NAME: 1-(4-chloranyl-2-nitro-phenyl)-3-cyclohexyl-urea
MOLECULAR FORMULA: C13H16ClN3O3
MOLECULAR WEIGHT: 297.73744
SMILES: C1CCC(CC1)NC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: bromomethane; methanol
CAS Name: bromomethane; methanol
IUPAC NAME: bromomethane; methanol
SYSTEMATIC NAME: bromanylmethane; methanol
MOLECULAR FORMULA: C2H7BrO
MOLECULAR WEIGHT: 126.98038
SMILES: CO.CBr
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Product OPENEYE NAME: [2-[[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] 2-methylpropanoate
CAS Name: 2-methylpropanoic acid [2-[[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]methyl]phenyl] ester
IUPAC NAME: [2-[[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] 2-methylpropanoate
SYSTEMATIC NAME: [2-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] 2-methylpropanoate
MOLECULAR FORMULA: C18H19N5O3
MOLECULAR WEIGHT: 353.37516
SMILES: CC(C)C(=O)OC1=CC=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2
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All Chemical Compounds Information

Product OPENEYE NAME: 1,2,3-trichloro-4-ethyl-cyclohexa-1,3-diene
CAS Name: 1,2,3-trichloro-4-ethylcyclohexa-1,3-diene
IUPAC NAME: 1,2,3-trichloro-4-ethylcyclohexa-1,3-diene
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)-4-ethyl-cyclohexa-1,3-diene
MOLECULAR FORMULA: C8H9Cl3
MOLECULAR WEIGHT: 211.51606
SMILES: CCC1=C(C(=C(CC1)Cl)Cl)Cl
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Product OPENEYE NAME: 2-butyl-3,4-dichloro-thiophene
CAS Name: 2-butyl-3,4-dichlorothiophene
IUPAC NAME: 2-butyl-3,4-dichlorothiophene
SYSTEMATIC NAME: 2-butyl-3,4-bis(chloranyl)thiophene
MOLECULAR FORMULA: C8H10Cl2S
MOLECULAR WEIGHT: 209.136
SMILES: CCCCC1=C(C(=CS1)Cl)Cl
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Product OPENEYE NAME: 2-(2,3-dibromophenyl)acetyl chloride
CAS Name: 2-(2,3-dibromophenyl)acetyl chloride
IUPAC NAME: 2-(2,3-dibromophenyl)acetyl chloride
SYSTEMATIC NAME: 2-[2,3-bis(bromanyl)phenyl]ethanoyl chloride
MOLECULAR FORMULA: C8H5Br2ClO
MOLECULAR WEIGHT: 312.3857
SMILES: C1=CC(=C(C(=C1)Br)Br)CC(=O)Cl
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Product OPENEYE NAME: 3,4-dibromo-2-butyl-thiophene
CAS Name: 3,4-dibromo-2-butylthiophene
IUPAC NAME: 3,4-dibromo-2-butylthiophene
SYSTEMATIC NAME: 3,4-bis(bromanyl)-2-butyl-thiophene
MOLECULAR FORMULA: C8H10Br2S
MOLECULAR WEIGHT: 298.038
SMILES: CCCCC1=C(C(=CS1)Br)Br
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Product OPENEYE NAME: 3-bromo-4-butyl-1,2-dihydropyridine
CAS Name: 3-bromo-4-butyl-1,2-dihydropyridine
IUPAC NAME: 3-bromo-4-butyl-1,2-dihydropyridine
SYSTEMATIC NAME: 3-bromanyl-4-butyl-1,2-dihydropyridine
MOLECULAR FORMULA: C9H14BrN
MOLECULAR WEIGHT: 216.11816
SMILES: CCCCC1=C(CNC=C1)Br
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Product OPENEYE NAME: 2-chloro-4-ethyl-1,2-dihydropyridine
CAS Name: 2-chloro-4-ethyl-1,2-dihydropyridine
IUPAC NAME: 2-chloro-4-ethyl-1,2-dihydropyridine
SYSTEMATIC NAME: 2-chloranyl-4-ethyl-1,2-dihydropyridine
MOLECULAR FORMULA: C7H10ClN
MOLECULAR WEIGHT: 143.614
SMILES: CCC1=CC(NC=C1)Cl
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Product OPENEYE NAME: 2-(2,3-dibromophenyl)acetonitrile
CAS Name: 2-(2,3-dibromophenyl)acetonitrile
IUPAC NAME: 2-(2,3-dibromophenyl)acetonitrile
SYSTEMATIC NAME: 2-[2,3-bis(bromanyl)phenyl]ethanenitrile
MOLECULAR FORMULA: C8H5Br2N
MOLECULAR WEIGHT: 274.94
SMILES: C1=CC(=C(C(=C1)Br)Br)CC#N
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Product OPENEYE NAME: 3,4-dichloro-2-ethyl-thiophene
CAS Name: 3,4-dichloro-2-ethylthiophene
IUPAC NAME: 3,4-dichloro-2-ethylthiophene
SYSTEMATIC NAME: 3,4-bis(chloranyl)-2-ethyl-thiophene
MOLECULAR FORMULA: C6H6Cl2S
MOLECULAR WEIGHT: 181.08284
SMILES: CCC1=C(C(=CS1)Cl)Cl
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Product OPENEYE NAME: 4-butyl-2-chloro-1,2-dihydropyridine
CAS Name: 4-butyl-2-chloro-1,2-dihydropyridine
IUPAC NAME: 4-butyl-2-chloro-1,2-dihydropyridine
SYSTEMATIC NAME: 4-butyl-2-chloranyl-1,2-dihydropyridine
MOLECULAR FORMULA: C9H14ClN
MOLECULAR WEIGHT: 171.66716
SMILES: CCCCC1=CC(NC=C1)Cl
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Product OPENEYE NAME: 3-bromo-4-ethyl-furan
CAS Name: 3-bromo-4-ethylfuran
IUPAC NAME: 3-bromo-4-ethylfuran
SYSTEMATIC NAME: 3-bromanyl-4-ethyl-furan
MOLECULAR FORMULA: C6H7BrO
MOLECULAR WEIGHT: 175.02318
SMILES: CCC1=COC=C1Br
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Product OPENEYE NAME: 4-butyl-2-chloro-furan
CAS Name: 4-butyl-2-chlorofuran
IUPAC NAME: 4-butyl-2-chlorofuran
SYSTEMATIC NAME: 4-butyl-2-chloranyl-furan
MOLECULAR FORMULA: C8H11ClO
MOLECULAR WEIGHT: 158.62534
SMILES: CCCCC1=COC(=C1)Cl
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Product OPENEYE NAME: 3-chloro-4-ethyl-thiophene
CAS Name: 3-chloro-4-ethylthiophene
IUPAC NAME: 3-chloro-4-ethylthiophene
SYSTEMATIC NAME: 3-chloranyl-4-ethyl-thiophene
MOLECULAR FORMULA: C6H7ClS
MOLECULAR WEIGHT: 146.63778
SMILES: CCC1=CSC=C1Cl
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Product OPENEYE NAME: 3-chloro-4-ethyl-furan
CAS Name: 3-chloro-4-ethylfuran
IUPAC NAME: 3-chloro-4-ethylfuran
SYSTEMATIC NAME: 3-chloranyl-4-ethyl-furan
MOLECULAR FORMULA: C6H7ClO
MOLECULAR WEIGHT: 130.57218
SMILES: CCC1=COC=C1Cl
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Product OPENEYE NAME: 2-benzoyl-2-chloro-butanoic acid
CAS Name: 2-benzoyl-2-chlorobutanoic acid
IUPAC NAME: 2-benzoyl-2-chlorobutanoic acid
SYSTEMATIC NAME: 2-chloranyl-2-(phenylcarbonyl)butanoic acid
MOLECULAR FORMULA: C11H11ClO3
MOLECULAR WEIGHT: 226.65624
SMILES: CCC(C(=O)C1=CC=CC=C1)(C(=O)O)Cl
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