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SMILES: n1(c2cccc(c2c(c1)I)Br)C(=O)OC(C)(C)C Canonical SMILES: O=C(n1cc(c2c1cccc2Br)I)OC(C)(C)C InChI: InChI=1S/C13H13BrINO2/c1-13(2,3)18-12(17)16-7-9(15)11-8(14)5-4-6-10(11)16/h4-7H,1-3H3 InChIKey: CYHAIEGIFOBUMF-UHFFFAOYSA-N
CBID:78104 http://www.chembase.cn/molecule-78104.html