sodium hexadecyl octadecanoate sulfate

Systemtic Name: sodium hexadecyl octadecanoate sulfate Openeye Name: sodium hexadecyl octadecanoate sulfate CAS Name: sodium octadecanoic acid hexadecyl ester sulfate IUPAC Name: sodium hexadecyl octadecanoate sulfate Traditional Name: sodium stearic acid cetyl ester sulfate Formula: C34H68NaO6S- MolecularWeight: 627.95489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C34H68O2.Na.H2O4S/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h3-33H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2