[(E)-docos-13-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-docos-13-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-docos-13-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-docos-13-enyl] ester IUPAC Name: [(E)-docos-13-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-docos-13-enyl] ester Formula: C29H50O3S MolecularWeight: 478.7705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H50O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-32-33(30,31)29-25-23-28(2)24-26-29/h10-11,23-26H,3-9,12-22,27H2,1-2H3/b11-10+