[[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-phenyl-methyl]phosphonic acid

Systemtic Name: [[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-phenyl-methyl]phosphonic acid Openeye Name: [[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-phenyl-methyl]phosphonic acid CAS Name: [[4-[1-(4-phenoxyphenyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-phenylmethyl]phosphonic acid IUPAC Name: [[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-phenylmethyl]phosphonic acid Traditional Name: [[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-phenyl-methyl]phosphonic acid Formula: C29H25N2O4P+2 MolecularWeight: 496.493561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C([N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=C(C=C4)OC5=CC=CC=C5)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C([N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=C(C=C4)OC5=CC=CC=C5)P(=O)(O)O

InChI

InChI=1S/C29H23N2O4P/c32-36(33,34)29(25-7-3-1-4-8-25)31-21-17-24(18-22-31)23-15-19-30(20-16-23)26-11-13-28(14-12-26)35-27-9-5-2-6-10-27/h1-22,29H/p+2