[2-(1-imidazol-1-ylpropan-2-yloxy)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1-imidazol-1-ylpropan-2-yloxy)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(2-imidazol-1-yl-1-methyl-ethoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[1-(1-imidazolyl)propan-2-yloxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(1-imidazol-1-ylpropan-2-yloxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(2-imidazol-1-yl-1-methyl-ethoxy)-1-phosphono-ethyl]phosphonic acid Formula: C8H16N2O8P2 MolecularWeight: 330.168762

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CN=C1)OCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(CN1C=CN=C1)OCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H16N2O8P2/c1-7(4-10-3-2-9-6-10)18-5-8(11,19(12,13)14)20(15,16)17/h2-3,6-7,11H,4-5H2,1H3,(H2,12,13,14)(H2,15,16,17)