dicalcium 2-imidazol-1-yl-1,1-diphosphonato-ethanol

Systemtic Name: dicalcium 2-imidazol-1-yl-1,1-diphosphonato-ethanol Openeye Name: dicalcium 2-imidazol-1-yl-1,1-diphosphonato-ethanol CAS Name: dicalcium 2-(1-imidazolyl)-1,1-diphosphonatoethanol IUPAC Name: dicalcium 2-imidazol-1-yl-1,1-diphosphonatoethanol Traditional Name: dicalcium 2-imidazol-1-yl-1,1-diphosphonato-ethanol Formula: C5H6Ca2N2O7P2 MolecularWeight: 348.213862

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-].[Ca+2].[Ca+2]

Isomeric SMILES

C1=CN(C=N1)CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Ca+2].[Ca+2]

InChI

InChI=1S/C5H10N2O7P2.2Ca/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;2*+2/p-4