potassium 6-bromanyl-2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: potassium 6-bromanyl-2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-(4-phenylphenyl)-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: potassium 6-bromo-2-(4-phenylphenyl)cinchoninate Formula: C22H13BrKNO2 MolecularWeight: 442.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-].[K+]

InChI

InChI=1S/C22H14BrNO2.K/c23-17-10-11-20-18(12-17)19(22(25)26)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h1-13H,(H,25,26);/q;+1/p-1