[2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(3-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C20H19F3N2O3S MolecularWeight: 424.43667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C20H19F3N2O3S/c1-12-6-5-7-16(10-12)25-18(11-17(24-25)20(21,22)23)28-29(26,27)19-14(3)8-13(2)9-15(19)4/h5-11H,1-4H3