hexadecyl 2-hexyl-3-methyl-2-sulfooxy-tridecanoate

Systemtic Name: hexadecyl 2-hexyl-3-methyl-2-sulfooxy-tridecanoate Openeye Name: hexadecyl 2-hexyl-3-methyl-2-sulfooxy-tridecanoate CAS Name: 2-hexyl-3-methyl-2-sulfooxytridecanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-hexyl-3-methyl-2-sulfooxytridecanoate Traditional Name: 2-hexyl-3-methyl-2-sulfoxy-tridecanoic acid cetyl ester Formula: C36H72O6S MolecularWeight: 633.01828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H72O6S/c1-5-8-11-14-16-18-19-20-21-22-23-25-27-30-33-41-35(37)36(42-43(38,39)40,32-29-13-10-7-3)34(4)31-28-26-24-17-15-12-9-6-2/h34H,5-33H2,1-4H3,(H,38,39,40)