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SMILES: C12(C(C1)C(=O)O)CCCC2 Canonical SMILES: OC(=O)C1CC21CCCC2 InChI: InChI=1S/C8H12O2/c9-7(10)6-5-8(6)3-1-2-4-8/h6H,1-5H2,(H,9,10) InChIKey: XYWFMXZFOVJDHK-UHFFFAOYSA-N
CBID:286036 http://www.chembase.cn/molecule-286036.html