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

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C16H11F2NO7S MolecularWeight: 399.322846

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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)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)F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11F2NO7S/c1-27(24,25)15-5-3-10(7-13(15)19(22)23)16(21)26-8-14(20)9-2-4-11(17)12(18)6-9/h2-7H,8H2,1H3