[(7E,10E,13E)-nonadeca-7,10,13-trien-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(7E,10E,13E)-nonadeca-7,10,13-trien-2-yl] 4-methylbenzenesulfonate Openeye Name: [(6E,9E,12E)-1-methyloctadeca-6,9,12-trienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(7E,10E,13E)-nonadeca-7,10,13-trien-2-yl] ester IUPAC Name: [(7E,10E,13E)-nonadeca-7,10,13-trien-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(6E,9E,12E)-1-methyloctadeca-6,9,12-trienyl] ester Formula: C26H40O3S MolecularWeight: 432.659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(3)29-30(27,28)26-22-20-24(2)21-23-26/h8-9,11-12,14-15,20-23,25H,4-7,10,13,16-19H2,1-3H3/b9-8+,12-11+,15-14+