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SMILES: s1cc(c(c1C(=O)OC)OC)Br Canonical SMILES: COC(=O)c1scc(c1OC)Br InChI: InChI=1S/C7H7BrO3S/c1-10-5-4(8)3-12-6(5)7(9)11-2/h3H,1-2H3 InChIKey: AAUKODCGPDBXCN-UHFFFAOYSA-N
CBID:91909 http://www.chembase.cn/molecule-91909.html