disodium 1-dimethoxyphosphoryl-8-phosphonato-octane-1,8-dione

Systemtic Name: disodium 1-dimethoxyphosphoryl-8-phosphonato-octane-1,8-dione Openeye Name: disodium 1-dimethoxyphosphoryl-8-phosphonato-octane-1,8-dione CAS Name: disodium 1-dimethoxyphosphoryl-8-phosphonatooctane-1,8-dione IUPAC Name: disodium 1-dimethoxyphosphoryl-8-phosphonatooctane-1,8-dione Traditional Name: disodium 1-dimethoxyphosphoryl-8-phosphonato-octane-1,8-dione Formula: C10H18Na2O8P2 MolecularWeight: 374.172182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O8P2.2Na/c1-17-20(16,18-2)10(12)8-6-4-3-5-7-9(11)19(13,14)15;;/h3-8H2,1-2H3,(H2,13,14,15);;/q;2*+1/p-2