[2-(2-methyl-1H-imidazol-5-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(2-methyl-1H-imidazol-5-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(2-methyl-1H-imidazol-5-yl)-1-phosphono-ethyl]phosphonic acid Formula: C6H12N2O7P2 MolecularWeight: 286.116202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12N2O7P2/c1-4-7-3-5(8-4)2-6(9,16(10,11)12)17(13,14)15/h3,9H,2H2,1H3,(H,7,8)(H2,10,11,12)(H2,13,14,15)