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

Systemtic Name: [2-(3-methylimidazol-3-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(3-methylimidazol-3-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(3-methyl-1-imidazol-3-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(3-methylimidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(3-methylimidazol-3-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C6H13N2O7P2+ MolecularWeight: 287.124142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[N+]1=CN(C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H12N2O7P2/c1-7-2-3-8(5-7)4-6(9,16(10,11)12)17(13,14)15/h2-3,5,9H,4H2,1H3,(H3-,10,11,12,13,14,15)/p+1