2-(5-chloranylpyridin-2-yl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(5-chloranylpyridin-2-yl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(5-chloro-2-pyridyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(5-chloro-2-pyridinyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(5-chloropyridin-2-yl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(5-chloro-2-pyridyl)-2,4-diphosphono-glutaric acid Formula: C10H12ClNO10P2 MolecularWeight: 403.603502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1Cl)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=NC=C1Cl)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C10H12ClNO10P2/c11-5-1-2-7(12-4-5)10(9(15)16,24(20,21)22)3-6(8(13)14)23(17,18)19/h1-2,4,6H,3H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)