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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)benzoate CAS Name: 2-(difluoromethylthio)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate Traditional Name: 2-(difluoromethylthio)benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H13F2NO5S MolecularWeight: 381.350626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F2NO5S/c1-10-6-7-11(8-13(10)20(23)24)14(21)9-25-16(22)12-4-2-3-5-15(12)26-17(18)19/h2-8,17H,9H2,1H3