potassium 6-bromanyl-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylate

Systemtic Name: potassium 6-bromanyl-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylate Traditional Name: potassium 2-acenaphthen-5-yl-6-bromo-cinchoninate Formula: C22H13BrKNO2 MolecularWeight: 442.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)[O-].[K+]

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)[O-].[K+]

InChI

InChI=1S/C22H14BrNO2.K/c23-14-7-9-19-17(10-14)18(22(25)26)11-20(24-19)15-8-6-13-5-4-12-2-1-3-16(15)21(12)13;/h1-3,6-11H,4-5H2,(H,25,26);/q;+1/p-1