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SMILES: c1(c(ccc(c1)C=O)OCCC)Br Canonical SMILES: CCCOc1ccc(cc1Br)C=O InChI: InChI=1S/C10H11BrO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6-7H,2,5H2,1H3 InChIKey: HDCNBZVVXWZSQO-UHFFFAOYSA-N
CBID:312002 http://www.chembase.cn/molecule-312002.html