[2-(3-methanoylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-methanoylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-formylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-formyl-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-formylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-formylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C8H12NO7P2+ MolecularWeight: 296.130902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO7P2/c10-6-7-2-1-3-9(4-7)5-8(17(11,12)13)18(14,15)16/h1-4,6,8H,5H2,(H3-,11,12,13,14,15,16)/p+1