提示: 按住Ctrl键可以同时选择多个官能团
SMILES: c1(c(OCC(C)C)ccc(c1)C=O)OC Canonical SMILES: COc1cc(C=O)ccc1OCC(C)C InChI: InChI=1S/C12H16O3/c1-9(2)8-15-11-5-4-10(7-13)6-12(11)14-3/h4-7,9H,8H2,1-3H3 InChIKey: AIAGRBSXKXJZFB-UHFFFAOYSA-N
CBID:25891 http://www.chembase.cn/molecule-25891.html