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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C16H12F3NO6S MolecularWeight: 403.32979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3NO6S/c1-27(24,25)14-6-5-11(8-13(14)20(22)23)15(21)26-9-10-3-2-4-12(7-10)16(17,18)19/h2-8H,9H2,1H3