phenacyl 4-dodecylbenzenesulfonate

Systemtic Name: phenacyl 4-dodecylbenzenesulfonate Openeye Name: phenacyl 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid phenacyl ester IUPAC Name: phenacyl 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid phenacyl ester Formula: C26H36O4S MolecularWeight: 444.62664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H36O4S/c1-2-3-4-5-6-7-8-9-10-12-15-23-18-20-25(21-19-23)31(28,29)30-22-26(27)24-16-13-11-14-17-24/h11,13-14,16-21H,2-10,12,15,22H2,1H3