[2-(hydroxymethyl)-3-methyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3-methyl-butyl] 4-methylbenzenesulfonate Openeye Name: [2-(hydroxymethyl)-3-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-3-methylbutyl] ester IUPAC Name: [2-(hydroxymethyl)-3-methylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-methyl-2-methylol-butyl) ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)C(C)C

InChI

InChI=1S/C13H20O4S/c1-10(2)12(8-14)9-17-18(15,16)13-6-4-11(3)5-7-13/h4-7,10,12,14H,8-9H2,1-3H3