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

Systemtic Name: [4-tert-butyl-5-(hydroxymethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-tert-butyl-5-(hydroxymethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-tert-butyl-5-(hydroxymethyl)-1H-pyrazol-3-yl] ester IUPAC Name: [4-tert-butyl-5-(hydroxymethyl)-1H-pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-tert-butyl-5-methylol-1H-pyrazol-3-yl) ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-10-5-7-11(8-6-10)22(19,20)21-14-13(15(2,3)4)12(9-18)16-17-14/h5-8,18H,9H2,1-4H3,(H,16,17)