disodium 1-dimethoxyphosphoryl-20-phosphonato-icosane-1,20-dione

Systemtic Name: disodium 1-dimethoxyphosphoryl-20-phosphonato-icosane-1,20-dione Openeye Name: disodium 1-dimethoxyphosphoryl-20-phosphonato-icosane-1,20-dione CAS Name: disodium 1-dimethoxyphosphoryl-20-phosphonatoeicosane-1,20-dione IUPAC Name: disodium 1-dimethoxyphosphoryl-20-phosphonatoicosane-1,20-dione Traditional Name: disodium 1-dimethoxyphosphoryl-20-phosphonato-eicosane-1,20-dione Formula: C22H42Na2O8P2 MolecularWeight: 542.491142

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C(=O)CCCCCCCCCCCCCCCCCCC(=O)P(=O)([O-])[O-])OC.[Na+].[Na+]

Isomeric SMILES

COP(=O)(C(=O)CCCCCCCCCCCCCCCCCCC(=O)P(=O)([O-])[O-])OC.[Na+].[Na+]

InChI

InChI=1S/C22H44O8P2.2Na/c1-29-32(28,30-2)22(24)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(23)31(25,26)27;;/h3-20H2,1-2H3,(H2,25,26,27);;/q;2*+1/p-2