[2-[3-(2,5-dimethylimidazol-1-yl)propoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(2,5-dimethylimidazol-1-yl)propoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(2,5-dimethylimidazol-1-yl)propoxy]-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(2,5-dimethyl-1-imidazolyl)propoxy]-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(2,5-dimethylimidazol-1-yl)propoxy]-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(2,5-dimethylimidazol-1-yl)propoxy]-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C10H20N2O8P2 MolecularWeight: 358.221922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1CCCOCC(O)(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

CC1=CN=C(N1CCCOCC(O)(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C10H20N2O8P2/c1-8-6-11-9(2)12(8)4-3-5-20-7-10(13,21(14,15)16)22(17,18)19/h6,13H,3-5,7H2,1-2H3,(H2,14,15,16)(H2,17,18,19)