[2-[4-(3-phenylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[4-(3-phenylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[4-(3-phenylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[4-(3-phenylphenyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[4-(3-phenylphenyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[4-(3-phenylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C19H20NO6P2+ MolecularWeight: 420.312722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6P2/c21-27(22,23)19(28(24,25)26)14-20-11-9-16(10-12-20)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-13,19H,14H2,(H3-,21,22,23,24,25,26)/p+1