(phenylmethyl) 2-octylbenzenesulfonate

Systemtic Name: (phenylmethyl) 2-octylbenzenesulfonate Openeye Name: benzyl 2-octylbenzenesulfonate CAS Name: 2-octylbenzenesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 2-octylbenzenesulfonate Traditional Name: 2-octylbenzenesulfonic acid benzyl ester Formula: C21H28O3S MolecularWeight: 360.51022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1S(=O)(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1S(=O)(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28O3S/c1-2-3-4-5-6-10-15-20-16-11-12-17-21(20)25(22,23)24-18-19-13-8-7-9-14-19/h7-9,11-14,16-17H,2-6,10,15,18H2,1H3