(3-cyano-1-phosphono-3-pyridin-2-yl-propyl)phosphonic acid

Systemtic Name: (3-cyano-1-phosphono-3-pyridin-2-yl-propyl)phosphonic acid Openeye Name: [3-cyano-1-phosphono-3-(2-pyridyl)propyl]phosphonic acid CAS Name: [3-cyano-1-phosphono-3-(2-pyridinyl)propyl]phosphonic acid IUPAC Name: (3-cyano-1-phosphono-3-pyridin-2-ylpropyl)phosphonic acid Traditional Name: [3-cyano-1-phosphono-3-(2-pyridyl)propyl]phosphonic acid Formula: C9H12N2O6P2 MolecularWeight: 306.148902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(CC(P(=O)(O)O)P(=O)(O)O)C#N

Isomeric SMILES

C1=CC=NC(=C1)C(CC(P(=O)(O)O)P(=O)(O)O)C#N

InChI

InChI=1S/C9H12N2O6P2/c10-6-7(8-3-1-2-4-11-8)5-9(18(12,13)14)19(15,16)17/h1-4,7,9H,5H2,(H2,12,13,14)(H2,15,16,17)