[(3E)-hexa-3,5-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(3E)-hexa-3,5-dienyl] 4-methylbenzenesulfonate Openeye Name: [(3E)-hexa-3,5-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3E)-hexa-3,5-dienyl] ester IUPAC Name: [(3E)-hexa-3,5-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3E)-hexa-3,5-dienyl] ester Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c1-3-4-5-6-11-16-17(14,15)13-9-7-12(2)8-10-13/h3-5,7-10H,1,6,11H2,2H3/b5-4+