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SMILES: CCC(C)C(O)CC Canonical SMILES: CCC(C(CC)C)O InChI: InChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3 InChIKey: NZPGYIBESMMUFU-UHFFFAOYSA-N
CBID:110543 http://www.chembase.cn/molecule-110543.html