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SMILES: c1(cc(no1)OC)CCC(=O)O Canonical SMILES: COc1cc(on1)CCC(=O)O InChI: InChI=1S/C7H9NO4/c1-11-6-4-5(12-8-6)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10) InChIKey: XWBIAAGRBWFOCT-UHFFFAOYSA-N
CBID:14862 http://www.chembase.cn/molecule-14862.html