[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [4-(difluoromethoxy)-5-methoxy-2-nitro-benzyl] ester Formula: C17H14ClF2NO6S MolecularWeight: 433.810966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=C(C=CC(=C2)SC)Cl)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=C(C=CC(=C2)SC)Cl)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C17H14ClF2NO6S/c1-25-14-5-9(13(21(23)24)7-15(14)27-17(19)20)8-26-16(22)11-6-10(28-2)3-4-12(11)18/h3-7,17H,8H2,1-2H3