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SMILES: CCCCC(CC)C(=O)O[Al](O)OC(=O)C(CC)CCCC Canonical SMILES: CCCCC(C(=O)O[Al](OC(=O)C(CCCC)CC)O)CC InChI: InChI=1S/2C8H16O2.Al.H2O/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;1H2/q;;+3;/p-3 InChIKey: ITXFWNWNWXSDBB-UHFFFAOYSA-K
CBID:109283 http://www.chembase.cn/molecule-109283.html