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SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc(cc(c1)Br)COC=O Canonical SMILES: O=COCc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C InChI: InChI=1S/C14H18BBrO4/c1-13(2)14(3,4)20-15(19-13)11-5-10(8-18-9-17)6-12(16)7-11/h5-7,9H,8H2,1-4H3 InChIKey: VAIMESWJOWGSNO-UHFFFAOYSA-N
CBID:297809 http://www.chembase.cn/molecule-297809.html