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SMILES: B(OCC(C)(C)C)(O)c1c(cccc1)C#N Canonical SMILES: N#Cc1ccccc1B(OCC(C)(C)C)O InChI: InChI=1S/C12H16BNO2/c1-12(2,3)9-16-13(15)11-7-5-4-6-10(11)8-14/h4-7,15H,9H2,1-3H3 InChIKey: PHELEFXFZKRETQ-UHFFFAOYSA-N
CBID:812745 http://www.chembase.cn/molecule-812745.html