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SMILES: C(CC(CCC)C(=O)O)CC Canonical SMILES: CCCCC(C(=O)O)CCC InChI: InChI=1S/C9H18O2/c1-3-5-7-8(6-4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11) InChIKey: HWXRWNDOEKHFTL-UHFFFAOYSA-N
CBID:177045 http://www.chembase.cn/molecule-177045.html