2-oxidanyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate

Systemtic Name: 2-oxidanyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate Openeye Name: 2-hydroxy-4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate CAS Name: 2-hydroxy-4-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzoate IUPAC Name: 2-hydroxy-4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate Traditional Name: 2-hydroxy-4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate Formula: C30H21NO3 MolecularWeight: 443.49264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)C(=O)[O-])O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)C(=O)[O-])O)C5=CC=CC=C5

InChI

InChI=1S/C30H21NO3/c32-29-20-25(16-17-26(29)30(33)34)31-27(22-12-6-2-7-13-22)18-24(21-10-4-1-5-11-21)19-28(31)23-14-8-3-9-15-23/h1-20H,(H-,32,33,34)