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

Systemtic Name: potassium 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: potassium 6-bromo-2-(4-chlorophenyl)cinchoninate Formula: C16H8BrClKNO2 MolecularWeight: 400.69552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-])Cl.[K+]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-])Cl.[K+]

InChI

InChI=1S/C16H9BrClNO2.K/c17-10-3-6-14-12(7-10)13(16(20)21)8-15(19-14)9-1-4-11(18)5-2-9;/h1-8H,(H,20,21);/q;+1/p-1