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SMILES: o1ccc(c1C=O)C Canonical SMILES: O=Cc1occc1C InChI: InChI=1S/C6H6O2/c1-5-2-3-8-6(5)4-7/h2-4H,1H3 InChIKey: DSMRYCOTKWYTRF-UHFFFAOYSA-N
CBID:77633 http://www.chembase.cn/molecule-77633.html