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SMILES: s1c(cc(c1Br)C)C=O Canonical SMILES: O=Cc1cc(c(s1)Br)C InChI: InChI=1S/C6H5BrOS/c1-4-2-5(3-8)9-6(4)7/h2-3H,1H3 InChIKey: FATNNNCLTSHUQL-UHFFFAOYSA-N
CBID:91828 http://www.chembase.cn/molecule-91828.html