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SMILES: c1(c(C=O)cccc1OCC)OCCC Canonical SMILES: CCCOc1c(OCC)cccc1C=O InChI: InChI=1S/C12H16O3/c1-3-8-15-12-10(9-13)6-5-7-11(12)14-4-2/h5-7,9H,3-4,8H2,1-2H3 InChIKey: NGLILBQTESXZCG-UHFFFAOYSA-N
CBID:234161 http://www.chembase.cn/molecule-234161.html