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SMILES: CCCC(C)CCC(=O)C Canonical SMILES: CCCC(CCC(=O)C)C InChI: InChI=1S/C9H18O/c1-4-5-8(2)6-7-9(3)10/h8H,4-7H2,1-3H3 InChIKey: UPVLGOPSYZTLGB-UHFFFAOYSA-N
CBID:296018 http://www.chembase.cn/molecule-296018.html