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

Systemtic Name: [2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-[4-(difluoromethoxy)phenyl]-2-keto-ethyl] ester Formula: C17H13F2NO8S MolecularWeight: 429.348826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F2NO8S/c1-29(25,26)15-7-4-11(8-13(15)20(23)24)16(22)27-9-14(21)10-2-5-12(6-3-10)28-17(18)19/h2-8,17H,9H2,1H3