propyl 9-sulfooxyoctadecanoate

Systemtic Name: propyl 9-sulfooxyoctadecanoate Openeye Name: propyl 9-sulfooxyoctadecanoate CAS Name: 9-sulfooxyoctadecanoic acid propyl ester IUPAC Name: propyl 9-sulfooxyoctadecanoate Traditional Name: 9-sulfoxystearic acid propyl ester Formula: C21H42O6S MolecularWeight: 422.61958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OCCC)OS(=O)(=O)O

InChI

InChI=1S/C21H42O6S/c1-3-5-6-7-8-10-13-16-20(27-28(23,24)25)17-14-11-9-12-15-18-21(22)26-19-4-2/h20H,3-19H2,1-2H3,(H,23,24,25)