disodium 1-dimethoxyphosphoryl-14-phosphonato-tetradecane-1,14-dione

Systemtic Name: disodium 1-dimethoxyphosphoryl-14-phosphonato-tetradecane-1,14-dione Openeye Name: disodium 1-dimethoxyphosphoryl-14-phosphonato-tetradecane-1,14-dione CAS Name: disodium 1-dimethoxyphosphoryl-14-phosphonatotetradecane-1,14-dione IUPAC Name: disodium 1-dimethoxyphosphoryl-14-phosphonatotetradecane-1,14-dione Traditional Name: disodium 1-dimethoxyphosphoryl-14-phosphonato-tetradecane-1,14-dione Formula: C16H30Na2O8P2 MolecularWeight: 458.331662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H32O8P2.2Na/c1-23-26(22,24-2)16(18)14-12-10-8-6-4-3-5-7-9-11-13-15(17)25(19,20)21;;/h3-14H2,1-2H3,(H2,19,20,21);;/q;2*+1/p-2