[2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate

Systemtic Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [2-(4-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [2-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N2O3S/c1-14-5-9-16(10-6-14)26-19(13-18(25-26)21(22,23)24)29-30(27,28)17-11-7-15(8-12-17)20(2,3)4/h5-13H,1-4H3