[(6E,9E,12E)-octadeca-6,9,12-trienyl] 4-methylbenzenesulfonate

Systemtic Name: [(6E,9E,12E)-octadeca-6,9,12-trienyl] 4-methylbenzenesulfonate Openeye Name: [(6E,9E,12E)-octadeca-6,9,12-trienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(6E,9E,12E)-octadeca-6,9,12-trienyl] ester IUPAC Name: [(6E,9E,12E)-octadeca-6,9,12-trienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(6E,9E,12E)-octadeca-6,9,12-trienyl] ester Formula: C25H38O3S MolecularWeight: 418.63242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-29(26,27)25-21-19-24(2)20-22-25/h7-8,10-11,13-14,19-22H,3-6,9,12,15-18,23H2,1-2H3/b8-7+,11-10+,14-13+