methyl 10-sulfooxyoctadecanoate

Systemtic Name: methyl 10-sulfooxyoctadecanoate Openeye Name: methyl 10-sulfooxyoctadecanoate CAS Name: 10-sulfooxyoctadecanoic acid methyl ester IUPAC Name: methyl 10-sulfooxyoctadecanoate Traditional Name: 10-sulfoxystearic acid methyl ester Formula: C19H38O6S MolecularWeight: 394.56642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCC(=O)OC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCCCC(=O)OC)OS(=O)(=O)O

InChI

InChI=1S/C19H38O6S/c1-3-4-5-6-9-12-15-18(25-26(21,22)23)16-13-10-7-8-11-14-17-19(20)24-2/h18H,3-17H2,1-2H3,(H,21,22,23)