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SMILES: c1(cccc(c1)C(CC=O)C)C(C)C Canonical SMILES: O=CCC(c1cccc(c1)C(C)C)C InChI: InChI=1S/C13H18O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,8-11H,7H2,1-3H3 InChIKey: OHRBQTOZYGEWCJ-UHFFFAOYSA-N
CBID:169010 http://www.chembase.cn/molecule-169010.html