2-(4-bromophenyl)-6-iodanyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-6-iodanyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-bromophenyl)-3-hydroxy-6-iodo-quinoline-4-carboxylic acid CAS Name: 2-(4-bromophenyl)-3-hydroxy-6-iodo-4-quinolinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid Traditional Name: 2-(4-bromophenyl)-3-hydroxy-6-iodo-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)I)C(=O)O)O)Br

Isomeric SMILES

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

InChI

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