2-(imidazol-1-ylmethyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(imidazol-1-ylmethyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(imidazol-1-ylmethyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(1-imidazolylmethyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(imidazol-1-ylmethyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(imidazol-1-ylmethyl)-2,4-diphosphono-glutaric acid Formula: C9H14N2O10P2 MolecularWeight: 372.162382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CN(C=N1)CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C9H14N2O10P2/c12-7(13)6(22(16,17)18)3-9(8(14)15,23(19,20)21)4-11-2-1-10-5-11/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)