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SMILES: O=C1CC(=O)CC(C1)C(C)C.O Canonical SMILES: CC(C1CC(=O)CC(=O)C1)C.O InChI: InChI=1S/C9H14O2.H2O/c1-6(2)7-3-8(10)5-9(11)4-7;/h6-7H,3-5H2,1-2H3;1H2 InChIKey: JYJVWRORYGGPHA-UHFFFAOYSA-N
CBID:91266 http://www.chembase.cn/molecule-91266.html