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SMILES: C1(CCC(=O)CC1)(C#N)C1CC1 Canonical SMILES: N#CC1(CCC(=O)CC1)C1CC1 InChI: InChI=1S/C10H13NO/c11-7-10(8-1-2-8)5-3-9(12)4-6-10/h8H,1-6H2 InChIKey: PHPMGMPLWGFZKK-UHFFFAOYSA-N
CBID:797713 http://www.chembase.cn/molecule-797713.html