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SMILES: C(=O)(c1cc(c(cc1)OCCC(C)C)Br)O Canonical SMILES: CC(CCOc1ccc(cc1Br)C(=O)O)C InChI: InChI=1S/C12H15BrO3/c1-8(2)5-6-16-11-4-3-9(12(14)15)7-10(11)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15) InChIKey: KTCWWHPQAHQZMX-UHFFFAOYSA-N
CBID:21752 http://www.chembase.cn/molecule-21752.html