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SMILES: c1ccc(c(c1)CC=O)Br Canonical SMILES: O=CCc1ccccc1Br InChI: InChI=1S/C8H7BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2 InChIKey: AXBFWAWZAFWFQW-UHFFFAOYSA-N
CBID:162946 http://www.chembase.cn/molecule-162946.html