(2-oxidanylidenecyclohexyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (2-oxocyclohexyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-ketocyclohexyl) ester Formula: C20H16F3NO5S MolecularWeight: 439.40495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H16F3NO5S/c21-20(22,23)12-9-10-18(14(11-12)24(27)28)30-17-8-4-1-5-13(17)19(26)29-16-7-3-2-6-15(16)25/h1,4-5,8-11,16H,2-3,6-7H2