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

Systemtic Name: [2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-[4-(difluoromethoxy)phenyl]-2-keto-ethyl] ester Formula: C17H13F2NO6S MolecularWeight: 397.350026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F2NO6S/c1-27-15-7-4-11(8-13(15)20(23)24)16(22)25-9-14(21)10-2-5-12(6-3-10)26-17(18)19/h2-8,17H,9H2,1H3