[2-(5-methyl-1H-imidazol-4-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(5-methyl-1H-imidazol-4-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(5-methyl-1H-imidazol-4-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(5-methyl-1H-imidazol-4-yl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(5-methyl-1H-imidazol-4-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(5-methyl-1H-imidazol-4-yl)-1-phosphono-ethyl]phosphonic acid Formula: C6H12N2O7P2 MolecularWeight: 286.116202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=C(N=CN1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H12N2O7P2/c1-4-5(8-3-7-4)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)