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SMILES: c1(cc2c(cc1)C(CCC2=O)(C)C)I Canonical SMILES: Ic1ccc2c(c1)C(=O)CCC2(C)C InChI: InChI=1S/C12H13IO/c1-12(2)6-5-11(14)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6H2,1-2H3 InChIKey: PFMSGNTWSBOOOA-UHFFFAOYSA-N
CBID:796257 http://www.chembase.cn/molecule-796257.html