4-[4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2,6-diphenyl-pyridin-1-ium-1-yl]-2-oxidanyl-benzoate

Systemtic Name: 4-[4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2,6-diphenyl-pyridin-1-ium-1-yl]-2-oxidanyl-benzoate Openeye Name: 4-[4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2,6-diphenyl-pyridin-1-ium-1-yl]-2-hydroxy-benzoate CAS Name: 4-[4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2,6-diphenyl-1-pyridin-1-iumyl]-2-hydroxybenzoate IUPAC Name: 4-[4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2,6-diphenylpyridin-1-ium-1-yl]-2-hydroxybenzoate Traditional Name: 4-[4-[4-(3,5-diphenyl-2-pyrazolin-1-yl)phenyl]-2,6-diphenyl-pyridin-1-ium-1-yl]-2-hydroxy-benzoate Formula: C45H33N3O3 MolecularWeight: 663.76182

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC(=[N+](C(=C4)C5=CC=CC=C5)C6=CC(=C(C=C6)C(=O)[O-])O)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC(=[N+](C(=C4)C5=CC=CC=C5)C6=CC(=C(C=C6)C(=O)[O-])O)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C45H33N3O3/c49-44-29-38(25-26-39(44)45(50)51)47-41(33-15-7-2-8-16-33)27-36(28-42(47)34-17-9-3-10-18-34)31-21-23-37(24-22-31)48-43(35-19-11-4-12-20-35)30-40(46-48)32-13-5-1-6-14-32/h1-29,43H,30H2,(H-,49,50,51)