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

Systemtic Name: [2-[2-(1H-imidazol-2-yl)-2-methyl-propoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[2-(1H-imidazol-2-yl)-2-methyl-propoxy]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[2-(1H-imidazol-2-yl)-2-methylpropoxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[2-(1H-imidazol-2-yl)-2-methylpropoxy]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[2-(1H-imidazol-2-yl)-2-methyl-propoxy]-1-phosphono-ethyl]phosphonic acid Formula: C9H18N2O8P2 MolecularWeight: 344.195342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COCC(O)(P(=O)(O)O)P(=O)(O)O)C1=NC=CN1

Isomeric SMILES

CC(C)(COCC(O)(P(=O)(O)O)P(=O)(O)O)C1=NC=CN1

InChI

InChI=1S/C9H18N2O8P2/c1-8(2,7-10-3-4-11-7)5-19-6-9(12,20(13,14)15)21(16,17)18/h3-4,12H,5-6H2,1-2H3,(H,10,11)(H2,13,14,15)(H2,16,17,18)