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SMILES: c1(c(ccc(c1)CCC)OCC)C=O Canonical SMILES: CCCc1ccc(c(c1)C=O)OCC InChI: InChI=1S/C12H16O2/c1-3-5-10-6-7-12(14-4-2)11(8-10)9-13/h6-9H,3-5H2,1-2H3 InChIKey: DKTKJBHQXJHYOT-UHFFFAOYSA-N
CBID:50152 http://www.chembase.cn/molecule-50152.html