[2-(2-oxidanylpyridin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(2-oxidanylpyridin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(2-hydroxypyridin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(2-hydroxy-4-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(2-hydroxypyridin-1-ium-4-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(2-hydroxypyridin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid Formula: C7H12NO7P2+ MolecularWeight: 284.120202

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=C(C=C1CC(P(=O)(O)O)P(=O)(O)O)O

Isomeric SMILES

C1=C[NH+]=C(C=C1CC(P(=O)(O)O)P(=O)(O)O)O

InChI

InChI=1S/C7H11NO7P2/c9-6-3-5(1-2-8-6)4-7(16(10,11)12)17(13,14)15/h1-3,7H,4H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)/p+1