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

Systemtic Name: [2-(1H-imidazol-3-ium-3-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(1H-imidazol-3-ium-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(1H-imidazol-3-ium-3-yl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(1H-imidazol-3-ium-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(1H-imidazol-3-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C5H11N2O7P2+ MolecularWeight: 273.097562

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CN1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=C[N+](=CN1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H4,9,10,11,12,13,14)/p+1