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SMILES: C12(C(=O)C(Br)C)CC3CC(C1)CC(C2)C3 Canonical SMILES: CC(C(=O)C12CC3CC(C2)CC(C1)C3)Br InChI: InChI=1S/C13H19BrO/c1-8(14)12(15)13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11H,2-7H2,1H3 InChIKey: XABYMCZQJXPCLR-UHFFFAOYSA-N
CBID:113166 http://www.chembase.cn/molecule-113166.html