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SMILES: CCC(C)(O)CCC(C)C Canonical SMILES: CCC(CCC(C)C)(O)C InChI: InChI=1S/C9H20O/c1-5-9(4,10)7-6-8(2)3/h8,10H,5-7H2,1-4H3 InChIKey: HVPGGLNDHUWMLS-UHFFFAOYSA-N
CBID:110110 http://www.chembase.cn/molecule-110110.html