trisodium (2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid

Systemtic Name: trisodium (2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid Openeye Name: trisodium (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid CAS Name: trisodium [1-hydroxy-2-(1-imidazolyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: trisodium (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid Traditional Name: trisodium (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid Formula: C5H10N2Na3O7P2+3 MolecularWeight: 341.058932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O.[Na+].[Na+].[Na+]

InChI

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