3,5-bis(iodanyl)-2-oxidanyl-benzoic acid; 5-bromanylquinolin-8-ol; copper

Systemtic Name: 3,5-bis(iodanyl)-2-oxidanyl-benzoic acid; 5-bromanylquinolin-8-ol; copper Openeye Name: 5-bromoquinolin-8-ol; copper; 2-hydroxy-3,5-diiodo-benzoic acid CAS Name: 5-bromo-8-quinolinol; copper; 2-hydroxy-3,5-diiodobenzoic acid IUPAC Name: 5-bromoquinolin-8-ol; copper; 2-hydroxy-3,5-diiodobenzoic acid Traditional Name: 5-bromoquinolin-8-ol; copper; 2-hydroxy-3,5-diiodo-benzoic acid Formula: C16H10BrCuI2NO4 MolecularWeight: 677.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)O)Br.C1=C(C=C(C(=C1I)O)C(=O)O)I.[Cu]

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)O)Br.C1=C(C=C(C(=C1I)O)C(=O)O)I.[Cu]

InChI

InChI=1S/C9H6BrNO.C7H4I2O3.Cu/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-5,12H;1-2,10H,(H,11,12);