[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [4-(difluoromethoxy)-3-methoxyphenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-3-methoxyphenyl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [4-(difluoromethoxy)-3-methoxy-benzyl] ester Formula: C17H15F2NO6S MolecularWeight: 399.365906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F2NO6S/c1-24-14-7-10(3-5-13(14)26-17(18)19)9-25-16(21)11-4-6-15(27-2)12(8-11)20(22)23/h3-8,17H,9H2,1-2H3