[2-[1-(2-methylimidazol-1-yl)propan-2-yloxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[1-(2-methylimidazol-1-yl)propan-2-yloxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[1-methyl-2-(2-methylimidazol-1-yl)ethoxy]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[1-(2-methyl-1-imidazolyl)propan-2-yloxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[1-(2-methylimidazol-1-yl)propan-2-yloxy]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[1-methyl-2-(2-methylimidazol-1-yl)ethoxy]-1-phosphono-ethyl]phosphonic acid Formula: C9H18N2O8P2 MolecularWeight: 344.195342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC(C)OCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=NC=CN1CC(C)OCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

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