[(E)-4-methyltridec-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-4-methyltridec-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-4-methyltridec-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-4-methyltridec-3-enyl] ester IUPAC Name: [(E)-4-methyltridec-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-4-methyltridec-3-enyl] ester Formula: C21H34O3S MolecularWeight: 366.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=CCCOS(=O)(=O)C1=CC=C(C=C1)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H34O3S/c1-4-5-6-7-8-9-10-12-19(2)13-11-18-24-25(22,23)21-16-14-20(3)15-17-21/h13-17H,4-12,18H2,1-3H3/b19-13+