hexadecyl 3-methyl-2-(sulfooxymethyl)tridecanoate

Systemtic Name: hexadecyl 3-methyl-2-(sulfooxymethyl)tridecanoate Openeye Name: hexadecyl 3-methyl-2-(sulfooxymethyl)tridecanoate CAS Name: 3-methyl-2-(sulfooxymethyl)tridecanoic acid hexadecyl ester IUPAC Name: hexadecyl 3-methyl-2-(sulfooxymethyl)tridecanoate Traditional Name: 3-methyl-2-(sulfoxymethyl)tridecanoic acid cetyl ester Formula: C31H62O6S MolecularWeight: 562.88538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(COS(=O)(=O)O)C(C)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(COS(=O)(=O)O)C(C)CCCCCCCCCC

InChI

InChI=1S/C31H62O6S/c1-4-6-8-10-12-14-15-16-17-18-19-21-23-25-27-36-31(32)30(28-37-38(33,34)35)29(3)26-24-22-20-13-11-9-7-5-2/h29-30H,4-28H2,1-3H3,(H,33,34,35)