[4-tert-butyl-5-(1-hydroxyethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-tert-butyl-5-(1-hydroxyethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-tert-butyl-5-(1-hydroxyethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-tert-butyl-5-(1-hydroxyethyl)-1H-pyrazol-3-yl] ester IUPAC Name: [4-tert-butyl-5-(1-hydroxyethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-tert-butyl-5-(1-hydroxyethyl)-1H-pyrazol-3-yl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NNC(=C2C(C)(C)C)C(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NNC(=C2C(C)(C)C)C(C)O

InChI

InChI=1S/C16H22N2O4S/c1-10-6-8-12(9-7-10)23(20,21)22-15-13(16(3,4)5)14(11(2)19)17-18-15/h6-9,11,19H,1-5H3,(H,17,18)