potassium 7-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: potassium 7-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: potassium 7-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: potassium 7-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate IUPAC Name: potassium 7-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: potassium 7-bromo-2-(3,4-dimethylphenyl)cinchoninate Formula: C18H13BrKNO2 MolecularWeight: 394.30362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)[O-])C.[K+]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)[O-])C.[K+]

InChI

InChI=1S/C18H14BrNO2.K/c1-10-3-4-12(7-11(10)2)16-9-15(18(21)22)14-6-5-13(19)8-17(14)20-16;/h3-9H,1-2H3,(H,21,22);/q;+1/p-1