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SMILES: COc1ccc(c(c1)Br)CC(=O)O Canonical SMILES: COc1ccc(c(c1)Br)CC(=O)O InChI: InChI=1S/C9H9BrO3/c1-13-7-3-2-6(4-9(11)12)8(10)5-7/h2-3,5H,4H2,1H3,(H,11,12) InChIKey: XQELSBAAFMYSMG-UHFFFAOYSA-N
CBID:142925 http://www.chembase.cn/molecule-142925.html