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SMILES: c1(c(OCC(C)C)ccc(c1)Cl)C=O Canonical SMILES: O=Cc1cc(Cl)ccc1OCC(C)C InChI: InChI=1S/C11H13ClO2/c1-8(2)7-14-11-4-3-10(12)5-9(11)6-13/h3-6,8H,7H2,1-2H3 InChIKey: NPNJQVRTLWNEAT-UHFFFAOYSA-N
CBID:26009 http://www.chembase.cn/molecule-26009.html