methyl 2-oxidanyl-5-[1-oxidanyl-2-[2,4,5-tris(bromanyl)imidazol-1-yl]ethyl]benzoate

Systemtic Name: methyl 2-oxidanyl-5-[1-oxidanyl-2-[2,4,5-tris(bromanyl)imidazol-1-yl]ethyl]benzoate Openeye Name: methyl 2-hydroxy-5-[1-hydroxy-2-(2,4,5-tribromoimidazol-1-yl)ethyl]benzoate CAS Name: 2-hydroxy-5-[1-hydroxy-2-(2,4,5-tribromo-1-imidazolyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[1-hydroxy-2-(2,4,5-tribromoimidazol-1-yl)ethyl]benzoate Traditional Name: 2-hydroxy-5-[1-hydroxy-2-(2,4,5-tribromoimidazol-1-yl)ethyl]benzoic acid methyl ester Formula: C13H11Br3N2O4 MolecularWeight: 498.94944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(CN2C(=C(N=C2Br)Br)Br)O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(CN2C(=C(N=C2Br)Br)Br)O)O

InChI

InChI=1S/C13H11Br3N2O4/c1-22-12(21)7-4-6(2-3-8(7)19)9(20)5-18-11(15)10(14)17-13(18)16/h2-4,9,19-20H,5H2,1H3