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SMILES: S(c1c(cc(cc1)Br)C)CC(=O)O Canonical SMILES: OC(=O)CSc1ccc(cc1C)Br InChI: InChI=1S/C9H9BrO2S/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12) InChIKey: QHBXVUSHFQLTOB-UHFFFAOYSA-N
CBID:228278 http://www.chembase.cn/molecule-228278.html