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SMILES: C1(C#N)(c2ccccc2)CCC(=O)CC1 Canonical SMILES: N#CC1(CCC(=O)CC1)c1ccccc1 InChI: InChI=1S/C13H13NO/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11/h1-5H,6-9H2 InChIKey: GKXOABVSZWCJJK-UHFFFAOYSA-N
CBID:251310 http://www.chembase.cn/molecule-251310.html