disodium 1-dimethoxyphosphoryl-16-phosphonato-hexadecane-1,16-dione

Systemtic Name: disodium 1-dimethoxyphosphoryl-16-phosphonato-hexadecane-1,16-dione Openeye Name: disodium 1-dimethoxyphosphoryl-16-phosphonato-hexadecane-1,16-dione CAS Name: disodium 1-dimethoxyphosphoryl-16-phosphonatohexadecane-1,16-dione IUPAC Name: disodium 1-dimethoxyphosphoryl-16-phosphonatohexadecane-1,16-dione Traditional Name: disodium 1-dimethoxyphosphoryl-16-phosphonato-hexadecane-1,16-dione Formula: C18H34Na2O8P2 MolecularWeight: 486.384822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O8P2.2Na/c1-25-28(24,26-2)18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(19)27(21,22)23;;/h3-16H2,1-2H3,(H2,21,22,23);;/q;2*+1/p-2