3-octadecanoyloxy-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-octadecanoyloxy-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-octadecanoyloxy-propane-1-sulfonic acid CAS Name: 2-hydroxy-3-(1-oxooctadecoxy)-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-octadecanoyloxypropane-1-sulfonic acid Traditional Name: 2-hydroxy-3-stearoyloxy-propane-1-sulfonic acid Formula: C21H42O6S MolecularWeight: 422.61958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CS(=O)(=O)O)O

InChI

InChI=1S/C21H42O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28(24,25)26/h20,22H,2-19H2,1H3,(H,24,25,26)