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

Systemtic Name: [1-oxidanyl-2-(3-phenylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(3-phenylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(3-phenyl-1-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(3-phenylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(3-phenylpyridin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C13H16NO7P2+ MolecularWeight: 360.216162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[N+](=CC=C2)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C[N+](=CC=C2)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)/p+1