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SMILES: c1(c2c([nH]c1C)CC(CC2=O)(C)C)C(=O)O Canonical SMILES: O=C1CC(C)(C)Cc2c1c(C(=O)O)c([nH]2)C InChI: InChI=1S/C12H15NO3/c1-6-9(11(15)16)10-7(13-6)4-12(2,3)5-8(10)14/h13H,4-5H2,1-3H3,(H,15,16) InChIKey: ONZHBTSNRCDSCR-UHFFFAOYSA-N
CBID:120042 http://www.chembase.cn/molecule-120042.html