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SMILES: C1(C(=O)O)(c2ccc(cc2)Br)CCCC1 Canonical SMILES: OC(=O)C1(CCCC1)c1ccc(cc1)Br InChI: InChI=1S/C12H13BrO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15) InChIKey: UALMMAIHRMKFCW-UHFFFAOYSA-N
CBID:254109 http://www.chembase.cn/molecule-254109.html