disodium 1-dimethoxyphosphoryl-26-phosphonato-hexacosane-1,26-dione

Systemtic Name: disodium 1-dimethoxyphosphoryl-26-phosphonato-hexacosane-1,26-dione Openeye Name: disodium 1-dimethoxyphosphoryl-26-phosphonato-hexacosane-1,26-dione CAS Name: disodium 1-dimethoxyphosphoryl-26-phosphonatohexacosane-1,26-dione IUPAC Name: disodium 1-dimethoxyphosphoryl-26-phosphonatohexacosane-1,26-dione Traditional Name: disodium 1-dimethoxyphosphoryl-26-phosphonato-hexacosane-1,26-dione Formula: C28H54Na2O8P2 MolecularWeight: 626.650622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H56O8P2.2Na/c1-35-38(34,36-2)28(30)26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27(29)37(31,32)33;;/h3-26H2,1-2H3,(H2,31,32,33);;/q;2*+1/p-2