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SMILES: c1(cc(ccc1OCC(=O)O)Cl)Br Canonical SMILES: OC(=O)COc1ccc(cc1Br)Cl InChI: InChI=1S/C8H6BrClO3/c9-6-3-5(10)1-2-7(6)13-4-8(11)12/h1-3H,4H2,(H,11,12) InChIKey: IQFPVGBBDOCAMI-UHFFFAOYSA-N
CBID:21682 http://www.chembase.cn/molecule-21682.html