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SMILES: C1(=CCCCC1=O)Br Canonical SMILES: O=C1CCCC=C1Br InChI: InChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2 InChIKey: KYNHSQQWQIIFTG-UHFFFAOYSA-N
CBID:64458 http://www.chembase.cn/molecule-64458.html