disodium oxidanyl-[1-oxidanyl-1-phosphono-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethyl]phosphinate

Systemtic Name: disodium oxidanyl-[1-oxidanyl-1-phosphono-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethyl]phosphinate Openeye Name: disodium hydroxy-[1-hydroxy-1-phosphono-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethyl]phosphinate CAS Name: disodium hydroxy-[1-hydroxy-1-phosphono-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethyl]phosphinate IUPAC Name: disodium hydroxy-[1-hydroxy-1-phosphono-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethyl]phosphinate Traditional Name: disodium hydroxy-[1-hydroxy-1-phosphono-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethyl]phosphinate Formula: C12H14N2Na2O7P2+2 MolecularWeight: 406.175822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CC=[N+](C=C2)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CN=CC=C1C2=CC=[N+](C=C2)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H14N2O7P2.2Na/c15-12(22(16,17)18,23(19,20)21)9-14-7-3-11(4-8-14)10-1-5-13-6-2-10;;/h1-8,15H,9H2,(H3-,16,17,18,19,20,21);;/q;2*+1