(1-phosphono-2-pyridin-1-ium-1-yl-ethyl)phosphonic acid

Systemtic Name: (1-phosphono-2-pyridin-1-ium-1-yl-ethyl)phosphonic acid Openeye Name: (1-phosphono-2-pyridin-1-ium-1-yl-ethyl)phosphonic acid CAS Name: [1-phosphono-2-(1-pyridin-1-iumyl)ethyl]phosphonic acid IUPAC Name: (1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphonic acid Traditional Name: (1-phosphono-2-pyridin-1-ium-1-yl-ethyl)phosphonic acid Formula: C7H12NO6P2+ MolecularWeight: 268.120802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=[N+](C=C1)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3-,9,10,11,12,13,14)/p+1