2-(2-oxidanylpentadecan-4-yl)benzenesulfonate

Systemtic Name: 2-(2-oxidanylpentadecan-4-yl)benzenesulfonate Openeye Name: 2-[1-(2-hydroxypropyl)dodecyl]benzenesulfonate CAS Name: 2-(2-hydroxypentadecan-4-yl)benzenesulfonate IUPAC Name: 2-(2-hydroxypentadecan-4-yl)benzenesulfonate Traditional Name: 2-[1-(2-hydroxypropyl)dodecyl]besylate Formula: C21H35O4S- MolecularWeight: 383.5652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C)O)C1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(CC(C)O)C1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C21H36O4S/c1-3-4-5-6-7-8-9-10-11-14-19(17-18(2)22)20-15-12-13-16-21(20)26(23,24)25/h12-13,15-16,18-19,22H,3-11,14,17H2,1-2H3,(H,23,24,25)/p-1