[1-oxidanyl-2-(3-oxidanylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-2-(3-oxidanylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(3-hydroxypyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(3-hydroxy-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(3-hydroxypyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(3-hydroxypyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C7H12NO8P2+ MolecularWeight: 300.119602

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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)O

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)O

InChI

InChI=1S/C7H11NO8P2/c9-6-2-1-3-8(4-6)5-7(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H4-,9,11,12,13,14,15,16)/p+1