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SMILES: C1(OCCO1)CCCC=O Canonical SMILES: O=CCCCC1OCCO1 InChI: InChI=1S/C7H12O3/c8-4-2-1-3-7-9-5-6-10-7/h4,7H,1-3,5-6H2 InChIKey: NEROWICBJPSXRB-UHFFFAOYSA-N
CBID:44802 http://www.chembase.cn/molecule-44802.html