potassium 6-bromanyl-2-(4-tert-butylphenyl)quinoline-4-carboxylate

Systemtic Name: potassium 6-bromanyl-2-(4-tert-butylphenyl)quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-(4-tert-butylphenyl)-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxylate Traditional Name: potassium 6-bromo-2-(4-tert-butylphenyl)cinchoninate Formula: C20H17BrKNO2 MolecularWeight: 422.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO2.K/c1-20(2,3)13-6-4-12(5-7-13)18-11-16(19(23)24)15-10-14(21)8-9-17(15)22-18;/h4-11H,1-3H3,(H,23,24);/q;+1/p-1