trisodium octadecanoate disulfate

Systemtic Name: trisodium octadecanoate disulfate Openeye Name: trisodium octadecanoate disulfate CAS Name: trisodium octadecanoate disulfate IUPAC Name: trisodium octadecanoate disulfate Traditional Name: trisodium stearate disulfate Formula: C18H35Na3O10S2-2 MolecularWeight: 544.56381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.3Na.2H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;2*1-5(2,3)4/h2-17H2,1H3,(H,19,20);;;;2*(H2,1,2,3,4)/q;3*+1;;/p-5