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

Systemtic Name: [3-(1H-imidazol-5-yl)-1-phosphono-1-propanoyloxy-propyl]phosphonic acid Openeye Name: [3-(1H-imidazol-5-yl)-1-phosphono-1-propanoyloxy-propyl]phosphonic acid CAS Name: [3-(1H-imidazol-5-yl)-1-(1-oxopropoxy)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(1H-imidazol-5-yl)-1-phosphono-1-propanoyloxypropyl]phosphonic acid Traditional Name: [3-(1H-imidazol-5-yl)-1-phosphono-1-propionyloxy-propyl]phosphonic acid Formula: C9H16N2O8P2 MolecularWeight: 342.179462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O8P2/c1-2-8(12)19-9(20(13,14)15,21(16,17)18)4-3-7-5-10-6-11-7/h5-6H,2-4H2,1H3,(H,10,11)(H2,13,14,15)(H2,16,17,18)