butyl 9-sulfooxyoctadecanoate

Systemtic Name: butyl 9-sulfooxyoctadecanoate Openeye Name: butyl 9-sulfooxyoctadecanoate CAS Name: 9-sulfooxyoctadecanoic acid butyl ester IUPAC Name: butyl 9-sulfooxyoctadecanoate Traditional Name: 9-sulfoxystearic acid butyl ester Formula: C22H44O6S MolecularWeight: 436.64616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)O

InChI

InChI=1S/C22H44O6S/c1-3-5-7-8-9-11-14-17-21(28-29(24,25)26)18-15-12-10-13-16-19-22(23)27-20-6-4-2/h21H,3-20H2,1-2H3,(H,24,25,26)