[(3Z,7E)-4,9-dimethyl-6-oxidanyl-deca-3,7,9-trienyl] 4-methylbenzenesulfonate

Systemtic Name: [(3Z,7E)-4,9-dimethyl-6-oxidanyl-deca-3,7,9-trienyl] 4-methylbenzenesulfonate Openeye Name: [(3Z,7E)-6-hydroxy-4,9-dimethyl-deca-3,7,9-trienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3Z,7E)-6-hydroxy-4,9-dimethyldeca-3,7,9-trienyl] ester IUPAC Name: [(3Z,7E)-6-hydroxy-4,9-dimethyldeca-3,7,9-trienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3Z,7E)-6-hydroxy-4,9-dimethyl-deca-3,7,9-trienyl] ester Formula: C19H26O4S MolecularWeight: 350.47234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC=C(C)CC(C=CC(=C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC/C=C(/C)\CC(/C=C/C(=C)C)O

InChI

InChI=1S/C19H26O4S/c1-15(2)7-10-18(20)14-17(4)6-5-13-23-24(21,22)19-11-8-16(3)9-12-19/h6-12,18,20H,1,5,13-14H2,2-4H3/b10-7+,17-6-