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SMILES: C(CCCC)CCC=O Canonical SMILES: CCCCCCCC=O InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 InChIKey: NUJGJRNETVAIRJ-UHFFFAOYSA-N
CBID:175782 http://www.chembase.cn/molecule-175782.html