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SMILES: O=C(O)c1cc(I)c(C)cc1OC Canonical SMILES: COc1cc(C)c(cc1C(=O)O)I InChI: InChI=1S/C9H9IO3/c1-5-3-8(13-2)6(9(11)12)4-7(5)10/h3-4H,1-2H3,(H,11,12) InChIKey: ZMSRDJONMBQQAD-UHFFFAOYSA-N
CBID:290187 http://www.chembase.cn/molecule-290187.html