[(E)-non-4-en-6-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-non-4-en-6-ynyl] 4-methylbenzenesulfonate Openeye Name: [(E)-non-4-en-6-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-non-4-en-6-ynyl] ester IUPAC Name: [(E)-non-4-en-6-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-non-4-en-6-ynyl] ester Formula: C16H20O3S MolecularWeight: 292.3932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CC=CCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC#C/C=C/CCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H20O3S/c1-3-4-5-6-7-8-9-14-19-20(17,18)16-12-10-15(2)11-13-16/h6-7,10-13H,3,8-9,14H2,1-2H3/b7-6+