[(3E,6E)-dodeca-3,6-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(3E,6E)-dodeca-3,6-dienyl] 4-methylbenzenesulfonate Openeye Name: [(3E,6E)-dodeca-3,6-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3E,6E)-dodeca-3,6-dienyl] ester IUPAC Name: [(3E,6E)-dodeca-3,6-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3E,6E)-dodeca-3,6-dienyl] ester Formula: C19H28O3S MolecularWeight: 336.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C19H28O3S/c1-3-4-5-6-7-8-9-10-11-12-17-22-23(20,21)19-15-13-18(2)14-16-19/h7-8,10-11,13-16H,3-6,9,12,17H2,1-2H3/b8-7+,11-10+