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SMILES: c1(c(ccc(c1)C=O)OCC)CCC Canonical SMILES: CCCc1cc(C=O)ccc1OCC InChI: InChI=1S/C12H16O2/c1-3-5-11-8-10(9-13)6-7-12(11)14-4-2/h6-9H,3-5H2,1-2H3 InChIKey: JPEWVCYUMGOLFI-UHFFFAOYSA-N
CBID:50114 http://www.chembase.cn/molecule-50114.html