13-methyltetradec-13-enyl 4-methylbenzenesulfonate

Systemtic Name: 13-methyltetradec-13-enyl 4-methylbenzenesulfonate Openeye Name: 13-methyltetradec-13-enyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 13-methyltetradec-13-enyl ester IUPAC Name: 13-methyltetradec-13-enyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 13-methyltetradec-13-enyl ester Formula: C22H36O3S MolecularWeight: 380.58444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O3S/c1-20(2)14-12-10-8-6-4-5-7-9-11-13-19-25-26(23,24)22-17-15-21(3)16-18-22/h15-18H,1,4-14,19H2,2-3H3