disodium 1-dimethoxyphosphoryl-13-phosphonato-tridecane-1,13-dione

Systemtic Name: disodium 1-dimethoxyphosphoryl-13-phosphonato-tridecane-1,13-dione Openeye Name: disodium 1-dimethoxyphosphoryl-13-phosphonato-tridecane-1,13-dione CAS Name: disodium 1-dimethoxyphosphoryl-13-phosphonatotridecane-1,13-dione IUPAC Name: disodium 1-dimethoxyphosphoryl-13-phosphonatotridecane-1,13-dione Traditional Name: disodium 1-dimethoxyphosphoryl-13-phosphonato-tridecane-1,13-dione Formula: C15H28Na2O8P2 MolecularWeight: 444.305082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H30O8P2.2Na/c1-22-25(21,23-2)15(17)13-11-9-7-5-3-4-6-8-10-12-14(16)24(18,19)20;;/h3-13H2,1-2H3,(H2,18,19,20);;/q;2*+1/p-2