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SMILES: O=C(C#CCCCCC)O Canonical SMILES: CCCCCC#CC(=O)O InChI: InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10) InChIKey: BQDKCWCMDBMLEH-UHFFFAOYSA-N
CBID:79603 http://www.chembase.cn/molecule-79603.html