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SMILES: CC(=CC(=C)C)C Canonical SMILES: CC(=CC(=C)C)C InChI: InChI=1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3 InChIKey: CMSUNVGIWAFNBG-UHFFFAOYSA-N
CBID:110101 http://www.chembase.cn/molecule-110101.html