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SMILES: CCCC(C)C#C Canonical SMILES: CC(C#C)CCC InChI: InChI=1S/C7H12/c1-4-6-7(3)5-2/h2,7H,4,6H2,1,3H3 InChIKey: OPZULQHRFNTFFZ-UHFFFAOYSA-N
CBID:140185 http://www.chembase.cn/molecule-140185.html