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SMILES: c1cc(cc(c1)OCC(=O)O)CBr Canonical SMILES: BrCc1cccc(c1)OCC(=O)O InChI: InChI=1S/C9H9BrO3/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4H,5-6H2,(H,11,12) InChIKey: MSTODKGDFXWAIO-UHFFFAOYSA-N
CBID:302525 http://www.chembase.cn/molecule-302525.html