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

Systemtic Name: (3-nitro-4-phenylsulfanyl-phenyl)methyl 3-(trifluoromethyl)benzoate Openeye Name: (3-nitro-4-phenylsulfanyl-phenyl)methyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [3-nitro-4-(phenylthio)phenyl]methyl ester IUPAC Name: (3-nitro-4-phenylsulfanylphenyl)methyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [3-nitro-4-(phenylthio)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)COC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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