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SMILES: c1(cccc(c1)C(=O)CBr)O[13CH3] Canonical SMILES: BrCC(=O)c1cccc(c1)O[13CH3] InChI: InChI=1S/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3/i1+1 InChIKey: IOOHBIFQNQQUFI-OUBTZVSYSA-N
CBID:162940 http://www.chembase.cn/molecule-162940.html