2-(1H-imidazol-5-yl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(1H-imidazol-5-yl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(1H-imidazol-5-yl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(1H-imidazol-5-yl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(1H-imidazol-5-yl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(1H-imidazol-5-yl)-2,4-diphosphono-glutaric acid Formula: C8H12N2O10P2 MolecularWeight: 358.135802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O10P2/c11-6(12)4(21(15,16)17)1-8(7(13)14,22(18,19)20)5-2-9-3-10-5/h2-4H,1H2,(H,9,10)(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)