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SMILES: O=C(C(C(=O)OCC)C(CCC)CCC)O Canonical SMILES: CCCC(C(C(=O)OCC)C(=O)O)CCC InChI: InChI=1S/C12H22O4/c1-4-7-9(8-5-2)10(11(13)14)12(15)16-6-3/h9-10H,4-8H2,1-3H3,(H,13,14) InChIKey: SMGMZCACYMLWFD-UHFFFAOYSA-N
CBID:80123 http://www.chembase.cn/molecule-80123.html