2-(2-methylpyridin-4-yl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(2-methylpyridin-4-yl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(2-methyl-4-pyridyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(2-methyl-4-pyridinyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(2-methylpyridin-4-yl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(2-methyl-4-pyridyl)-2,4-diphosphono-glutaric acid Formula: C11H15NO10P2 MolecularWeight: 383.185022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CC1=NC=CC(=C1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C11H15NO10P2/c1-6-4-7(2-3-12-6)11(10(15)16,24(20,21)22)5-8(9(13)14)23(17,18)19/h2-4,8H,5H2,1H3,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)