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SMILES: c1(c(OCC(=O)O)ccc(c1)C)Br Canonical SMILES: OC(=O)COc1ccc(cc1Br)C InChI: InChI=1S/C9H9BrO3/c1-6-2-3-8(7(10)4-6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12) InChIKey: SIAQBSDQFZWINQ-UHFFFAOYSA-N
CBID:21700 http://www.chembase.cn/molecule-21700.html