6-bromanyl-2-(4-iodophenyl)-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(4-iodophenyl)-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-hydroxy-2-(4-iodophenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-3-hydroxy-2-(4-iodophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-hydroxy-2-(4-iodophenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-3-hydroxy-2-(4-iodophenyl)cinchoninic acid Formula: C16H9BrINO3 MolecularWeight: 470.05603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)O)I

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)O)I

InChI

InChI=1S/C16H9BrINO3/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(19-12)8-1-4-10(18)5-2-8/h1-7,20H,(H,21,22)