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

Systemtic Name: [1-oxidanyl-2-[3-(3-phenylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[3-(3-phenylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[3-(3-phenylphenyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[3-(3-phenylphenyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[3-(3-phenylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C19H20NO7P2+ MolecularWeight: 436.312122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C[N+](=CC=C3)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C[N+](=CC=C3)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)/p+1