[1-acetyloxy-3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-acetyloxy-3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [1-acetoxy-3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-acetyloxy-3-(1H-imidazol-5-yl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-acetyloxy-3-(1H-imidazol-5-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-acetoxy-3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid Formula: C8H14N2O8P2 MolecularWeight: 328.152882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC1=CN=CN1)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)OC(CCC1=CN=CN1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H14N2O8P2/c1-6(11)18-8(19(12,13)14,20(15,16)17)3-2-7-4-9-5-10-7/h4-5H,2-3H2,1H3,(H,9,10)(H2,12,13,14)(H2,15,16,17)