[(E)-8-methyl-10-(oxan-2-yloxy)-5-oxidanylidene-dec-8-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-8-methyl-10-(oxan-2-yloxy)-5-oxidanylidene-dec-8-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-8-methyl-5-oxo-10-tetrahydropyran-2-yloxy-dec-8-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-8-methyl-10-(2-oxanyloxy)-5-oxodec-8-enyl] ester IUPAC Name: [(E)-8-methyl-10-(oxan-2-yloxy)-5-oxodec-8-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-5-keto-8-methyl-10-tetrahydropyran-2-yloxy-dec-8-enyl] ester Formula: C23H34O6S MolecularWeight: 438.57746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(=O)CCC(=CCOC2CCCCO2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(=O)CC/C(=C/COC2CCCCO2)/C

InChI

InChI=1S/C23H34O6S/c1-19-10-13-22(14-11-19)30(25,26)29-17-6-3-7-21(24)12-9-20(2)15-18-28-23-8-4-5-16-27-23/h10-11,13-15,23H,3-9,12,16-18H2,1-2H3/b20-15+