[(E,2R)-2-(hydroxymethyl)-5-methyl-hex-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2R)-2-(hydroxymethyl)-5-methyl-hex-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2R)-2-(hydroxymethyl)-5-methyl-hex-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2R)-2-(hydroxymethyl)-5-methylhex-3-enyl] ester IUPAC Name: [(E,2R)-2-(hydroxymethyl)-5-methylhex-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2R)-5-methyl-2-methylol-hex-3-enyl] ester Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](CO)/C=C/C(C)C

InChI

InChI=1S/C15H22O4S/c1-12(2)4-7-14(10-16)11-19-20(17,18)15-8-5-13(3)6-9-15/h4-9,12,14,16H,10-11H2,1-3H3/b7-4+/t14-/m1/s1