[2-[2-(4,5-dihydroimidazol-1-yl)propoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[2-(4,5-dihydroimidazol-1-yl)propoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[2-(4,5-dihydroimidazol-1-yl)propoxy]-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[2-(4,5-dihydroimidazol-1-yl)propoxy]-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[2-(4,5-dihydroimidazol-1-yl)propoxy]-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[2-(2-imidazolin-1-yl)propoxy]-1-phosphono-ethyl]phosphonic acid Formula: C8H18N2O8P2 MolecularWeight: 332.184642

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC(O)(P(=O)(O)O)P(=O)(O)O)N1CCN=C1

Isomeric SMILES

CC(COCC(O)(P(=O)(O)O)P(=O)(O)O)N1CCN=C1

InChI

InChI=1S/C8H18N2O8P2/c1-7(10-3-2-9-6-10)4-18-5-8(11,19(12,13)14)20(15,16)17/h6-7,11H,2-5H2,1H3,(H2,12,13,14)(H2,15,16,17)