hexadecyl 2,3-dimethyl-2-sulfooxy-tridecanoate

Systemtic Name: hexadecyl 2,3-dimethyl-2-sulfooxy-tridecanoate Openeye Name: hexadecyl 2,3-dimethyl-2-sulfooxy-tridecanoate CAS Name: 2,3-dimethyl-2-sulfooxytridecanoic acid hexadecyl ester IUPAC Name: hexadecyl 2,3-dimethyl-2-sulfooxytridecanoate Traditional Name: 2,3-dimethyl-2-sulfoxy-tridecanoic acid cetyl ester Formula: C31H62O6S MolecularWeight: 562.88538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62O6S/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-36-30(32)31(4,37-38(33,34)35)29(3)27-25-23-21-14-12-10-8-6-2/h29H,5-28H2,1-4H3,(H,33,34,35)