propan-2-yl 9-sulfooxyoctadecanoate

Systemtic Name: propan-2-yl 9-sulfooxyoctadecanoate Openeye Name: isopropyl 9-sulfooxyoctadecanoate CAS Name: 9-sulfooxyoctadecanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 9-sulfooxyoctadecanoate Traditional Name: 9-sulfoxystearic acid isopropyl ester Formula: C21H42O6S MolecularWeight: 422.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OC(C)C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OC(C)C)OS(=O)(=O)O

InChI

InChI=1S/C21H42O6S/c1-4-5-6-7-8-10-13-16-20(27-28(23,24)25)17-14-11-9-12-15-18-21(22)26-19(2)3/h19-20H,4-18H2,1-3H3,(H,23,24,25)