[3-(trifluoromethyl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C15H12F3NO5S MolecularWeight: 375.31969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H12F3NO5S/c1-9-6-12(19(20)21)8-14(10(9)2)25(22,23)24-13-5-3-4-11(7-13)15(16,17)18/h3-8H,1-2H3