hexadecyl 3-sulfooxybutanoate

Systemtic Name: hexadecyl 3-sulfooxybutanoate Openeye Name: hexadecyl 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid hexadecyl ester IUPAC Name: hexadecyl 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid cetyl ester Formula: C20H40O6S MolecularWeight: 408.593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC(C)OS(=O)(=O)O

InChI

InChI=1S/C20H40O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20(21)18-19(2)26-27(22,23)24/h19H,3-18H2,1-2H3,(H,22,23,24)