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

Systemtic Name: [2-[3-(1H-imidazol-5-yl)propoxy]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[3-(1H-imidazol-5-yl)propoxy]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[3-(1H-imidazol-5-yl)propoxy]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[3-(1H-imidazol-5-yl)propoxy]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[3-(1H-imidazol-5-yl)propoxy]-1-phosphono-ethyl]phosphonic acid Formula: C8H16N2O8P2 MolecularWeight: 330.168762

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CCCOCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=C(NC=N1)CCCOCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H16N2O8P2/c11-8(19(12,13)14,20(15,16)17)5-18-3-1-2-7-4-9-6-10-7/h4,6,11H,1-3,5H2,(H,9,10)(H2,12,13,14)(H2,15,16,17)