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SMILES: CC(=CCCO)C Canonical SMILES: OCCC=C(C)C InChI: InChI=1S/C6H12O/c1-6(2)4-3-5-7/h4,7H,3,5H2,1-2H3 InChIKey: FKKLUOCEIANSFL-UHFFFAOYSA-N
CBID:144864 http://www.chembase.cn/molecule-144864.html