[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl] 4-methylbenzenesulfonate

Systemtic Name: [(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl] 4-methylbenzenesulfonate Openeye Name: [(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl] ester IUPAC Name: [(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl] ester Formula: C23H34O3S MolecularWeight: 390.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC=C(C)CCC=C(C)CCC=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C23H34O3S/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-18-26-27(24,25)23-16-14-22(5)15-17-23/h9,11,13-17H,6-8,10,12,18H2,1-5H3/b20-11+,21-13-