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SMILES: c1(c(OCC(=O)O)ccc(c1)Br)C=O Canonical SMILES: O=Cc1cc(Br)ccc1OCC(=O)O InChI: InChI=1S/C9H7BrO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13) InChIKey: KXRYNWDCFUKVNN-UHFFFAOYSA-N
CBID:36185 http://www.chembase.cn/molecule-36185.html