(2-methoxy-2-oxidanylidene-ethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C17H12F3NO6S MolecularWeight: 415.34049

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3NO6S/c1-26-15(22)9-27-16(23)11-4-2-3-5-13(11)28-14-7-6-10(17(18,19)20)8-12(14)21(24)25/h2-8H,9H2,1H3