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SMILES: O=C(CCc1cccc(c1)Br)O Canonical SMILES: OC(=O)CCc1cccc(c1)Br InChI: InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12) InChIKey: DWKWMFSWLCIMKI-UHFFFAOYSA-N
CBID:8923 http://www.chembase.cn/molecule-8923.html