disodium 1-dimethoxyphosphoryl-7-phosphonato-heptane-1,7-dione

Systemtic Name: disodium 1-dimethoxyphosphoryl-7-phosphonato-heptane-1,7-dione Openeye Name: disodium 1-dimethoxyphosphoryl-7-phosphonato-heptane-1,7-dione CAS Name: disodium 1-dimethoxyphosphoryl-7-phosphonatoheptane-1,7-dione IUPAC Name: disodium 1-dimethoxyphosphoryl-7-phosphonatoheptane-1,7-dione Traditional Name: disodium 1-dimethoxyphosphoryl-7-phosphonato-heptane-1,7-dione Formula: C9H16Na2O8P2 MolecularWeight: 360.145602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O8P2.2Na/c1-16-19(15,17-2)9(11)7-5-3-4-6-8(10)18(12,13)14;;/h3-7H2,1-2H3,(H2,12,13,14);;/q;2*+1/p-2