6-bromanyl-2-(4-iodophenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(4-iodophenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(4-iodophenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(4-iodophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-iodophenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(4-iodophenyl)cinchoninic acid Formula: C16H9BrINO2 MolecularWeight: 454.05663

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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)I

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)I

InChI

InChI=1S/C16H9BrINO2/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)