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SMILES: C(=O)(C=O)c1cc(ccc1)Br.O Canonical SMILES: O=CC(=O)c1cccc(c1)Br.O InChI: InChI=1S/C8H5BrO2.H2O/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-5H;1H2 InChIKey: BSHAAODAJAWMNJ-UHFFFAOYSA-N
CBID:66250 http://www.chembase.cn/molecule-66250.html