[(1E)-penta-1,4-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(1E)-penta-1,4-dienyl] 4-methylbenzenesulfonate Openeye Name: [(1E)-penta-1,4-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1E)-penta-1,4-dienyl] ester IUPAC Name: [(1E)-penta-1,4-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1E)-penta-1,4-dienyl] ester Formula: C12H14O3S MolecularWeight: 238.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h3,5-10H,1,4H2,2H3/b10-5+