disodium 1-dimethoxyphosphoryl-17-phosphonato-heptadecane-1,17-dione

Systemtic Name: disodium 1-dimethoxyphosphoryl-17-phosphonato-heptadecane-1,17-dione Openeye Name: disodium 1-dimethoxyphosphoryl-17-phosphonato-heptadecane-1,17-dione CAS Name: disodium 1-dimethoxyphosphoryl-17-phosphonatoheptadecane-1,17-dione IUPAC Name: disodium 1-dimethoxyphosphoryl-17-phosphonatoheptadecane-1,17-dione Traditional Name: disodium 1-dimethoxyphosphoryl-17-phosphonato-heptadecane-1,17-dione Formula: C19H36Na2O8P2 MolecularWeight: 500.411402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H38O8P2.2Na/c1-26-29(25,27-2)19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)28(22,23)24;;/h3-17H2,1-2H3,(H2,22,23,24);;/q;2*+1/p-2