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SMILES: C1(=CCCCCC1)C=O Canonical SMILES: O=CC1=CCCCCC1 InChI: InChI=1S/C8H12O/c9-7-8-5-3-1-2-4-6-8/h5,7H,1-4,6H2 InChIKey: XFXBZUGAKSVCJA-UHFFFAOYSA-N
CBID:796270 http://www.chembase.cn/molecule-796270.html