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

Systemtic Name: [2-(1-imidazol-1-ylpropan-2-yloxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(2-imidazol-1-yl-1-methyl-ethoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[1-(1-imidazolyl)propan-2-yloxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1-imidazol-1-ylpropan-2-yloxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(2-imidazol-1-yl-1-methyl-ethoxy)-1-phosphono-ethyl]phosphonic acid Formula: C8H16N2O7P2 MolecularWeight: 314.169362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16N2O7P2/c1-7(4-10-3-2-9-6-10)17-5-8(18(11,12)13)19(14,15)16/h2-3,6-8H,4-5H2,1H3,(H2,11,12,13)(H2,14,15,16)