[1-oxidanyl-2-[1-(phenylcarbonyl)imidazol-2-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-2-[1-(phenylcarbonyl)imidazol-2-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1-benzoylimidazol-2-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1-benzoyl-2-imidazolyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1-benzoylimidazol-2-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1-benzoylimidazol-2-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C12H14N2O8P2 MolecularWeight: 376.195682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CN=C2CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CN=C2CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H14N2O8P2/c15-11(9-4-2-1-3-5-9)14-7-6-13-10(14)8-12(16,23(17,18)19)24(20,21)22/h1-7,16H,8H2,(H2,17,18,19)(H2,20,21,22)