calcium sodium octadecanoate diphosphate

Systemtic Name: calcium sodium octadecanoate diphosphate Openeye Name: calcium sodium octadecanoate diphosphate CAS Name: calcium sodium octadecanoate diphosphate IUPAC Name: calcium sodium octadecanoate diphosphate Traditional Name: calcium sodium stearate diphosphate Formula: C18H35CaNaO10P2-4 MolecularWeight: 536.479792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Na+].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Na+].[Ca+2]

InChI

InChI=1S/C18H36O2.Ca.Na.2H3O4P/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*(H3,1,2,3,4)/q;+2;+1;;/p-7