sodium propyl 10-sulfooxyoctadecanoate

Systemtic Name: sodium propyl 10-sulfooxyoctadecanoate Openeye Name: sodium propyl 10-sulfooxyoctadecanoate CAS Name: sodium 10-sulfooxyoctadecanoic acid propyl ester IUPAC Name: sodium propyl 10-sulfooxyoctadecanoate Traditional Name: sodium 10-sulfoxystearic acid propyl ester Formula: C21H42NaO6S+ MolecularWeight: 445.60935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCC(=O)OCCC)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCC(CCCCCCCCC(=O)OCCC)OS(=O)(=O)O.[Na+]

InChI

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