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SMILES: [nH]1c(=O)ccc2c1cc(cc2)OCCCBr Canonical SMILES: BrCCCOc1ccc2c(c1)[nH]c(=O)cc2 InChI: InChI=1S/C12H12BrNO2/c13-6-1-7-16-10-4-2-9-3-5-12(15)14-11(9)8-10/h2-5,8H,1,6-7H2,(H,14,15) InChIKey: RHJNUFWFQIAFTD-UHFFFAOYSA-N
CBID:163040 http://www.chembase.cn/molecule-163040.html