disodium [2-(1-methylpyridin-1-ium-3-yl)-1-oxidanyl-1-phosphonato-ethyl]-oxidanyl-phosphinate

Systemtic Name: disodium [2-(1-methylpyridin-1-ium-3-yl)-1-oxidanyl-1-phosphonato-ethyl]-oxidanyl-phosphinate Openeye Name: disodium hydroxy-[1-hydroxy-2-(1-methylpyridin-1-ium-3-yl)-1-phosphonato-ethyl]phosphinate CAS Name: disodium hydroxy-[1-hydroxy-2-(1-methyl-3-pyridin-1-iumyl)-1-phosphonatoethyl]phosphinate IUPAC Name: disodium hydroxy-[1-hydroxy-2-(1-methylpyridin-1-ium-3-yl)-1-phosphonatoethyl]phosphinate Traditional Name: disodium hydroxy-[1-hydroxy-2-(1-methylpyridin-1-ium-3-yl)-1-phosphonato-ethyl]phosphinate Formula: C8H11NNa2O7P2 MolecularWeight: 341.102502

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C8H13NO7P2.2Na/c1-9-4-2-3-7(6-9)5-8(10,17(11,12)13)18(14,15)16;;/h2-4,6,10H,5H2,1H3,(H3-,11,12,13,14,15,16);;/q;2*+1/p-2