sodium [2-[3-(4-oxidanidylphenyl)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: sodium [2-[3-(4-oxidanidylphenyl)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: sodium hydroxy-[1-hydroxy-2-[3-(4-oxidophenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphinate CAS Name: sodium hydroxy-[1-hydroxy-2-[3-(4-oxidophenyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphinate IUPAC Name: sodium hydroxy-[1-hydroxy-2-[3-(4-oxidophenyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphinate Traditional Name: sodium hydroxy-[1-hydroxy-2-[3-(4-oxidophenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphinate Formula: C13H14NNaO8P2 MolecularWeight: 397.189452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-])C2=CC=C(C=C2)[O-].[Na+]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-])C2=CC=C(C=C2)[O-].[Na+]

InChI

InChI=1S/C13H15NO8P2.Na/c15-12-5-3-10(4-6-12)11-2-1-7-14(8-11)9-13(16,23(17,18)19)24(20,21)22;/h1-8,16H,9H2,(H4-,15,17,18,19,20,21,22);/q;+1/p-1