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SMILES: CCC(=O)CCC(C)C Canonical SMILES: CCC(=O)CCC(C)C InChI: InChI=1S/C8H16O/c1-4-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3 InChIKey: CCCIYAQYQZQDIZ-UHFFFAOYSA-N
CBID:110661 http://www.chembase.cn/molecule-110661.html