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SMILES: CCCC(C)(O)CCC Canonical SMILES: CCCC(CCC)(O)C InChI: InChI=1S/C8H18O/c1-4-6-8(3,9)7-5-2/h9H,4-7H2,1-3H3 InChIKey: IQXKGRKRIRMQCQ-UHFFFAOYSA-N
CBID:110038 http://www.chembase.cn/molecule-110038.html