disodium 1-dimethoxyphosphoryl-15-phosphonato-pentadecane-1,15-dione

Systemtic Name: disodium 1-dimethoxyphosphoryl-15-phosphonato-pentadecane-1,15-dione Openeye Name: disodium 1-dimethoxyphosphoryl-15-phosphonato-pentadecane-1,15-dione CAS Name: disodium 1-dimethoxyphosphoryl-15-phosphonatopentadecane-1,15-dione IUPAC Name: disodium 1-dimethoxyphosphoryl-15-phosphonatopentadecane-1,15-dione Traditional Name: disodium 1-dimethoxyphosphoryl-15-phosphonato-pentadecane-1,15-dione Formula: C17H32Na2O8P2 MolecularWeight: 472.358242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H34O8P2.2Na/c1-24-27(23,25-2)17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16(18)26(20,21)22;;/h3-15H2,1-2H3,(H2,20,21,22);;/q;2*+1/p-2