hexadecyl 2-butyl-3-methyl-2-sulfooxy-tridecanoate

Systemtic Name: hexadecyl 2-butyl-3-methyl-2-sulfooxy-tridecanoate Openeye Name: hexadecyl 2-butyl-3-methyl-2-sulfooxy-tridecanoate CAS Name: 2-butyl-3-methyl-2-sulfooxytridecanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-butyl-3-methyl-2-sulfooxytridecanoate Traditional Name: 2-butyl-3-methyl-2-sulfoxy-tridecanoic acid cetyl ester Formula: C34H68O6S MolecularWeight: 604.96512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H68O6S/c1-5-8-11-13-15-17-18-19-20-21-22-24-26-28-31-39-33(35)34(30-10-7-3,40-41(36,37)38)32(4)29-27-25-23-16-14-12-9-6-2/h32H,5-31H2,1-4H3,(H,36,37,38)