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

Systemtic Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [2-phenyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C20H19F3N2O3S MolecularWeight: 424.43667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O3S/c1-19(2,3)14-9-11-16(12-10-14)29(26,27)28-18-13-17(20(21,22)23)24-25(18)15-7-5-4-6-8-15/h4-13H,1-3H3