(1-oxidanyl-1-phosphono-2-pyridin-4-ylsulfanyl-ethyl)phosphonic acid; sodium

Systemtic Name: (1-oxidanyl-1-phosphono-2-pyridin-4-ylsulfanyl-ethyl)phosphonic acid; sodium Openeye Name: [1-hydroxy-1-phosphono-2-(4-pyridylsulfanyl)ethyl]phosphonic acid; sodium CAS Name: [1-hydroxy-1-phosphono-2-(pyridin-4-ylthio)ethyl]phosphonic acid; sodium IUPAC Name: (1-hydroxy-1-phosphono-2-pyridin-4-ylsulfanylethyl)phosphonic acid; sodium Traditional Name: [1-hydroxy-1-phosphono-2-(4-pyridylthio)ethyl]phosphonic acid; sodium Formula: C7H11NNaO7P2S MolecularWeight: 338.167032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1SCC(O)(P(=O)(O)O)P(=O)(O)O.[Na]

Isomeric SMILES

C1=CN=CC=C1SCC(O)(P(=O)(O)O)P(=O)(O)O.[Na]

InChI

InChI=1S/C7H11NO7P2S.Na/c9-7(16(10,11)12,17(13,14)15)5-18-6-1-3-8-4-2-6;/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15);