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

Systemtic Name: sodium [2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: sodium [2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: sodium [2-[3-(4-fluorophenyl)-1-pyridin-1-iumyl]-1-hydroxy-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: sodium [2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: sodium [2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C13H14FNNaO7P2+ MolecularWeight: 400.188455

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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)F.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C13H14FNO7P2.Na/c14-12-5-3-10(4-6-12)11-2-1-7-15(8-11)9-13(16,23(17,18)19)24(20,21)22;/h1-8,16H,9H2,(H3-,17,18,19,20,21,22);/q;+1