[(4E)-hepta-4,6-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(4E)-hepta-4,6-dienyl] 4-methylbenzenesulfonate Openeye Name: [(4E)-hepta-4,6-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4E)-hepta-4,6-dienyl] ester IUPAC Name: [(4E)-hepta-4,6-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4E)-hepta-4,6-dienyl] ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3S/c1-3-4-5-6-7-12-17-18(15,16)14-10-8-13(2)9-11-14/h3-5,8-11H,1,6-7,12H2,2H3/b5-4+