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SMILES: c1c(c(cc(c1)C=O)OCC)OCC#C Canonical SMILES: C#CCOc1ccc(cc1OCC)C=O InChI: InChI=1S/C12H12O3/c1-3-7-15-11-6-5-10(9-13)8-12(11)14-4-2/h1,5-6,8-9H,4,7H2,2H3 InChIKey: PODDLMWNBNRQJK-UHFFFAOYSA-N
CBID:12962 http://www.chembase.cn/molecule-12962.html