2,4-diphosphono-2-pyridin-3-yl-pentanedioic acid

Systemtic Name: 2,4-diphosphono-2-pyridin-3-yl-pentanedioic acid Openeye Name: 2,4-diphosphono-2-(3-pyridyl)pentanedioic acid CAS Name: 2,4-diphosphono-2-(3-pyridinyl)pentanedioic acid IUPAC Name: 2,4-diphosphono-2-pyridin-3-ylpentanedioic acid Traditional Name: 2,4-diphosphono-2-(3-pyridyl)glutaric acid Formula: C10H13NO10P2 MolecularWeight: 369.158442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO10P2/c12-8(13)7(22(16,17)18)4-10(9(14)15,23(19,20)21)6-2-1-3-11-5-6/h1-3,5,7H,4H2,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)