potassium 6-bromanyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: potassium 6-bromanyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: potassium 6-bromo-2-(3,4-dimethoxyphenyl)cinchoninate Formula: C18H13BrKNO4 MolecularWeight: 426.30242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-])OC.[K+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-])OC.[K+]

InChI

InChI=1S/C18H14BrNO4.K/c1-23-16-6-3-10(7-17(16)24-2)15-9-13(18(21)22)12-8-11(19)4-5-14(12)20-15;/h3-9H,1-2H3,(H,21,22);/q;+1/p-1