[(E)-octadec-9-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-octadec-9-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-octadec-9-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-octadec-9-enyl] ester Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C25H42O3S/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/h10-11,19-22H,3-9,12-18,23H2,1-2H3/b11-10+