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SMILES: [n+]1(c(cc(cc1)Br)C)[O-] Canonical SMILES: Brc1cc[n+](c(c1)C)[O-] InChI: InChI=1S/C6H6BrNO/c1-5-4-6(7)2-3-8(5)9/h2-4H,1H3 InChIKey: WRQSJBNVXAEYSB-UHFFFAOYSA-N
CBID:801144 http://www.chembase.cn/molecule-801144.html