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SMILES: CC(C(=O)O)c1cc(Br)ccc1 Canonical SMILES: OC(=O)C(c1cccc(c1)Br)C InChI: InChI=1S/C9H9BrO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12) InChIKey: QLHMQZFTSIHQIT-UHFFFAOYSA-N
CBID:288816 http://www.chembase.cn/molecule-288816.html