(3-pentadecylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (3-pentadecylphenyl) 4-methylbenzenesulfonate Openeye Name: (3-pentadecylphenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-pentadecylphenyl) ester IUPAC Name: (3-pentadecylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-pentadecylphenyl) ester Formula: C28H42O3S MolecularWeight: 458.69628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C28H42O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-19-27(24-26)31-32(29,30)28-22-20-25(2)21-23-28/h16,18-24H,3-15,17H2,1-2H3