[2-(4,5-dimethylimidazol-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(4,5-dimethylimidazol-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4,5-dimethylimidazol-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4,5-dimethyl-1-imidazolyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4,5-dimethylimidazol-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4,5-dimethylimidazol-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C7H14N2O7P2 MolecularWeight: 300.142782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

CC1=C(N(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C7H14N2O7P2/c1-5-6(2)9(4-8-5)3-7(10,17(11,12)13)18(14,15)16/h4,10H,3H2,1-2H3,(H2,11,12,13)(H2,14,15,16)