[(1E,3E)-octadeca-1,3-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(1E,3E)-octadeca-1,3-dienyl] 4-methylbenzenesulfonate Openeye Name: [(1E,3E)-octadeca-1,3-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1E,3E)-octadeca-1,3-dienyl] ester IUPAC Name: [(1E,3E)-octadeca-1,3-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1E,3E)-octadeca-1,3-dienyl] ester Formula: C25H40O3S MolecularWeight: 420.6483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC=COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C=C/OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C25H40O3S/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/h16-23H,3-15H2,1-2H3/b17-16+,23-18+