[(2E)-2,6-dimethylhepta-2,6-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(2E)-2,6-dimethylhepta-2,6-dienyl] 4-methylbenzenesulfonate Openeye Name: [(2E)-2,6-dimethylhepta-2,6-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2E)-2,6-dimethylhepta-2,6-dienyl] ester IUPAC Name: [(2E)-2,6-dimethylhepta-2,6-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2E)-2,6-dimethylhepta-2,6-dienyl] ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=CCCC(=C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC/C(=C/CCC(=C)C)/C

InChI

InChI=1S/C16H22O3S/c1-13(2)6-5-7-15(4)12-19-20(17,18)16-10-8-14(3)9-11-16/h7-11H,1,5-6,12H2,2-4H3/b15-7+