methyl 9-sulfooxyoctadecanoate

Systemtic Name: methyl 9-sulfooxyoctadecanoate Openeye Name: methyl 9-sulfooxyoctadecanoate CAS Name: 9-sulfooxyoctadecanoic acid methyl ester IUPAC Name: methyl 9-sulfooxyoctadecanoate Traditional Name: 9-sulfoxystearic acid methyl ester Formula: C19H38O6S MolecularWeight: 394.56642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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