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SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc(c(nc1)Cl)c1ccccc1.N=S(=O)=O Canonical SMILES: Clc1ncc(cc1c1ccccc1)B1OC(C(O1)(C)C)(C)C.N=S(=O)=O InChI: InChI=1S/C17H19BClNO2.HNO2S/c1-16(2)17(3,4)22-18(21-16)13-10-14(15(19)20-11-13)12-8-6-5-7-9-12;1-4(2)3/h5-11H,1-4H3;1H InChIKey: ZKNYSINCPYFHQU-UHFFFAOYSA-N
CBID:298504 http://www.chembase.cn/molecule-298504.html