2-phenylbutan-2-yl 2-dodecylbenzenesulfonate

Systemtic Name: 2-phenylbutan-2-yl 2-dodecylbenzenesulfonate Openeye Name: (1-methyl-1-phenyl-propyl) 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonic acid 2-phenylbutan-2-yl ester IUPAC Name: 2-phenylbutan-2-yl 2-dodecylbenzenesulfonate Traditional Name: 2-laurylbenzenesulfonic acid (1-methyl-1-phenyl-propyl) ester Formula: C28H42O3S MolecularWeight: 458.69628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC(C)(CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC(C)(CC)C2=CC=CC=C2

InChI

InChI=1S/C28H42O3S/c1-4-6-7-8-9-10-11-12-13-15-20-25-21-18-19-24-27(25)32(29,30)31-28(3,5-2)26-22-16-14-17-23-26/h14,16-19,21-24H,4-13,15,20H2,1-3H3