[3-(4-bromophenyl)-5-(4-methoxy-3-oxidanyl-phenyl)-1,2,3,4-tetrazol-2-ium-2-yl]-(2-hydroxyphenyl)methanone iodide

Systemtic Name: [3-(4-bromophenyl)-5-(4-methoxy-3-oxidanyl-phenyl)-1,2,3,4-tetrazol-2-ium-2-yl]-(2-hydroxyphenyl)methanone iodide Openeye Name: [3-(4-bromophenyl)-5-(3-hydroxy-4-methoxy-phenyl)tetrazol-2-ium-2-yl]-(2-hydroxyphenyl)methanone iodide CAS Name: [3-(4-bromophenyl)-5-(3-hydroxy-4-methoxyphenyl)-2-tetrazol-2-iumyl]-(2-hydroxyphenyl)methanone iodide IUPAC Name: [3-(4-bromophenyl)-5-(3-hydroxy-4-methoxyphenyl)tetrazol-2-ium-2-yl]-(2-hydroxyphenyl)methanone iodide Traditional Name: [3-(4-bromophenyl)-5-(3-hydroxy-4-methoxy-phenyl)tetrazol-2-ium-2-yl]-(2-hydroxyphenyl)methanone iodide Formula: C21H16BrIN4O4 MolecularWeight: 595.18461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN([N+](=N2)C(=O)C3=CC=CC=C3O)C4=CC=C(C=C4)Br)O.[I-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN([N+](=N2)C(=O)C3=CC=CC=C3O)C4=CC=C(C=C4)Br)O.[I-]

InChI

InChI=1S/C21H15BrN4O4.HI/c1-30-19-11-6-13(12-18(19)28)20-23-25(15-9-7-14(22)8-10-15)26(24-20)21(29)16-4-2-3-5-17(16)27;/h2-12H,1H3,(H-,27,28,29);1H