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SMILES: CCC(=O)CC(C)C Canonical SMILES: CCC(=O)CC(C)C InChI: InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3 InChIKey: DXVYLFHTJZWTRF-UHFFFAOYSA-N
CBID:108048 http://www.chembase.cn/molecule-108048.html