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SMILES: C(CCCCC=O)(C)C Canonical SMILES: O=CCCCCC(C)C InChI: InChI=1S/C8H16O/c1-8(2)6-4-3-5-7-9/h7-8H,3-6H2,1-2H3 InChIKey: LCEHKIHBHIJPCD-UHFFFAOYSA-N
CBID:173760 http://www.chembase.cn/molecule-173760.html