[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] ethanesulfonate

Systemtic Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] ethanesulfonate Openeye Name: [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] ethanesulfonate CAS Name: ethanesulfonic acid [5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC(=NN1C2=CC=C(C=C2)C)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC(=NN1C2=CC=C(C=C2)C)C(C)(C)C

InChI

InChI=1S/C16H22N2O3S/c1-6-22(19,20)21-15-11-14(16(3,4)5)17-18(15)13-9-7-12(2)8-10-13/h7-11H,6H2,1-5H3