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SMILES: o1c(ccc1)CCC=O Canonical SMILES: O=CCCc1ccco1 InChI: InChI=1S/C7H8O2/c8-5-1-3-7-4-2-6-9-7/h2,4-6H,1,3H2 InChIKey: CARVUDNODWHOPP-UHFFFAOYSA-N
CBID:180504 http://www.chembase.cn/molecule-180504.html