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SMILES: C(CCCC)C=O Canonical SMILES: CCCCCC=O InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 InChIKey: JARKCYVAAOWBJS-UHFFFAOYSA-N
CBID:169956 http://www.chembase.cn/molecule-169956.html