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SMILES: B1(OC(C(O1)(C)C)(C)C)CCCBr Canonical SMILES: BrCCCB1OC(C(O1)(C)C)(C)C InChI: InChI=1S/C9H18BBrO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-7H2,1-4H3 InChIKey: CHQXFJUKMDJWHO-UHFFFAOYSA-N
CBID:141240 http://www.chembase.cn/molecule-141240.html