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

Systemtic Name: (1-oxidanyl-1-phosphono-2-pyridin-1-ium-4-ylsulfanyl-ethyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-2-pyridin-1-ium-4-ylsulfanyl-ethyl)phosphonic acid CAS Name: [1-hydroxy-1-phosphono-2-(4-pyridin-1-iumylthio)ethyl]phosphonic acid IUPAC Name: (1-hydroxy-1-phosphono-2-pyridin-1-ium-4-ylsulfanylethyl)phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-2-(pyridin-1-ium-4-ylthio)ethyl]phosphonic acid Formula: C7H12NO7P2S+ MolecularWeight: 316.185202

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1SCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=C[NH+]=CC=C1SCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H11NO7P2S/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)/p+1