[(3E,5Z)-undeca-1,3,5-trien-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3E,5Z)-undeca-1,3,5-trien-6-yl] 4-methylbenzenesulfonate Openeye Name: [(1Z,3E)-1-pentylhexa-1,3,5-trienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3E,5Z)-undeca-1,3,5-trien-6-yl] ester IUPAC Name: [(3E,5Z)-undeca-1,3,5-trien-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1Z,3E)-1-amylhexa-1,3,5-trienyl] ester Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC=CC=C)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24O3S/c1-4-6-8-10-17(11-9-7-5-2)21-22(19,20)18-14-12-16(3)13-15-18/h4,6,8,10,12-15H,1,5,7,9,11H2,2-3H3/b8-6+,17-10-