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SMILES: CCCCC(C)(O)CC Canonical SMILES: CCCCC(CC)(O)C InChI: InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3 InChIKey: PQOSNJHBSNZITJ-UHFFFAOYSA-N
CBID:110284 http://www.chembase.cn/molecule-110284.html