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SMILES: n1(ccc(=O)cc1)CC(=O)O Canonical SMILES: OC(=O)Cn1ccc(=O)cc1 InChI: InChI=1S/C7H7NO3/c9-6-1-3-8(4-2-6)5-7(10)11/h1-4H,5H2,(H,10,11) InChIKey: PWCMMIXFOFNOAZ-UHFFFAOYSA-N
CBID:30246 http://www.chembase.cn/molecule-30246.html