[2-(3-dibenzofuran-4-ylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-dibenzofuran-4-ylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-dibenzofuran-4-ylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(4-dibenzofuranyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-dibenzofuran-4-ylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-dibenzofuran-4-ylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C19H18NO7P2+ MolecularWeight: 434.296242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=C[N+](=CC=C4)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=C[N+](=CC=C4)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C19H17NO7P2/c21-28(22,23)18(29(24,25)26)12-20-10-4-5-13(11-20)14-7-3-8-16-15-6-1-2-9-17(15)27-19(14)16/h1-11,18H,12H2,(H3-,21,22,23,24,25,26)/p+1