hexadecyl 3-methyl-2-(1-sulfooxyethyl)tridecanoate

Systemtic Name: hexadecyl 3-methyl-2-(1-sulfooxyethyl)tridecanoate Openeye Name: hexadecyl 3-methyl-2-(1-sulfooxyethyl)tridecanoate CAS Name: 3-methyl-2-(1-sulfooxyethyl)tridecanoic acid hexadecyl ester IUPAC Name: hexadecyl 3-methyl-2-(1-sulfooxyethyl)tridecanoate Traditional Name: 3-methyl-2-(1-sulfoxyethyl)tridecanoic acid cetyl ester Formula: C32H64O6S MolecularWeight: 576.91196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C(C)CCCCCCCCCC)C(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C(C)CCCCCCCCCC)C(C)OS(=O)(=O)O

InChI

InChI=1S/C32H64O6S/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-37-32(33)31(30(4)38-39(34,35)36)29(3)27-25-23-21-14-12-10-8-6-2/h29-31H,5-28H2,1-4H3,(H,34,35,36)