3-(2-oxidanyloctadecanoyloxy)propane-1-sulfonic acid

Systemtic Name: 3-(2-oxidanyloctadecanoyloxy)propane-1-sulfonic acid Openeye Name: 3-(2-hydroxyoctadecanoyloxy)propane-1-sulfonic acid CAS Name: 3-(2-hydroxy-1-oxooctadecoxy)-1-propanesulfonic acid IUPAC Name: 3-(2-hydroxyoctadecanoyloxy)propane-1-sulfonic acid Traditional Name: 3-(2-hydroxyoctadecanoyloxy)propane-1-sulfonic acid Formula: C21H42O6S MolecularWeight: 422.61958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)OCCCS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)OCCCS(=O)(=O)O)O

InChI

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