[3-(trifluoromethyl)phenyl]methyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C21H14F3NO4S MolecularWeight: 433.40037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H14F3NO4S/c22-21(23,24)16-6-4-5-14(11-16)13-29-20(26)15-9-10-19(18(12-15)25(27)28)30-17-7-2-1-3-8-17/h1-12H,13H2