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SMILES: CCC(C)(CC(=O)O)C(=O)O Canonical SMILES: CCC(C(=O)O)(CC(=O)O)C InChI: InChI=1S/C7H12O4/c1-3-7(2,6(10)11)4-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11) InChIKey: FDYJJKHDNNVUDR-UHFFFAOYSA-N
CBID:108045 http://www.chembase.cn/molecule-108045.html