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SMILES: s1cc(c2cc(ccc12)Br)C(=O)O Canonical SMILES: Brc1ccc2c(c1)c(cs2)C(=O)O InChI: InChI=1S/C9H5BrO2S/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12) InChIKey: DWQBOPASRUUSKR-UHFFFAOYSA-N
CBID:77121 http://www.chembase.cn/molecule-77121.html