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SMILES: n1(c2c(c(ccc2)Br)cc1B(O)O)C(=O)OC(C)(C)C Canonical SMILES: OB(c1cc2c(n1C(=O)OC(C)(C)C)cccc2Br)O InChI: InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3 InChIKey: WWSBCMYHAIKIPV-UHFFFAOYSA-N
CBID:90572 http://www.chembase.cn/molecule-90572.html