(3-nitrophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: (3-nitrophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (3-nitrophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (3-nitrobenzyl) ester Formula: C21H13F3N2O6S MolecularWeight: 478.39793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13F3N2O6S/c22-21(23,24)14-8-9-19(17(11-14)26(30)31)33-18-7-2-1-6-16(18)20(27)32-12-13-4-3-5-15(10-13)25(28)29/h1-11H,12H2