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SMILES: c1(C(=O)O)ncccc1OCC=C Canonical SMILES: OC(=O)c1ncccc1OCC=C InChI: InChI=1S/C9H9NO3/c1-2-6-13-7-4-3-5-10-8(7)9(11)12/h2-5H,1,6H2,(H,11,12) InChIKey: ALLGIKWUFVJOBH-UHFFFAOYSA-N
CBID:247004 http://www.chembase.cn/molecule-247004.html