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SMILES: CC1=C(C(=O)CC1)C Canonical SMILES: CC1=C(C)CCC1=O InChI: InChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-4H2,1-2H3 InChIKey: UZLQSPYGTUMKGS-UHFFFAOYSA-N
CBID:146879 http://www.chembase.cn/molecule-146879.html