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SMILES: CCC(CC)(C(=O)O)C(=O)O Canonical SMILES: CCC(C(=O)O)(C(=O)O)CC InChI: InChI=1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11) InChIKey: LTMRRSWNXVJMBA-UHFFFAOYSA-N
CBID:145761 http://www.chembase.cn/molecule-145761.html