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SMILES: O=C(c1ccc(cc1)Br)CCCCCC Canonical SMILES: CCCCCCC(=O)c1ccc(cc1)Br InChI: InChI=1S/C13H17BrO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3 InChIKey: LDVBFPQTLJKTLV-UHFFFAOYSA-N
CBID:80018 http://www.chembase.cn/molecule-80018.html