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SMILES: O=C1CCC(CC1)CCC Canonical SMILES: CCCC1CCC(=O)CC1 InChI: InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3 InChIKey: NQEDLIZOPMNZMC-UHFFFAOYSA-N
CBID:89461 http://www.chembase.cn/molecule-89461.html