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SMILES: c1(c(OCC(=O)O)cccc1)C(CC)C Canonical SMILES: CCC(c1ccccc1OCC(=O)O)C InChI: InChI=1S/C12H16O3/c1-3-9(2)10-6-4-5-7-11(10)15-8-12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14) InChIKey: JHXIYIRARDDHJU-UHFFFAOYSA-N
CBID:21684 http://www.chembase.cn/molecule-21684.html