[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-keto-ethyl] ester Formula: C18H15F2NO7S MolecularWeight: 427.376006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F2NO7S/c1-26-15-8-10(3-5-14(15)28-18(19)20)13(22)9-27-17(23)11-4-6-16(29-2)12(7-11)21(24)25/h3-8,18H,9H2,1-2H3