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SMILES: n1c(ccc(c1)Br)OCCCC Canonical SMILES: CCCCOc1ccc(cn1)Br InChI: InChI=1S/C9H12BrNO/c1-2-3-6-12-9-5-4-8(10)7-11-9/h4-5,7H,2-3,6H2,1H3 InChIKey: RHKWVOXRHVREMU-UHFFFAOYSA-N
CBID:795928 http://www.chembase.cn/molecule-795928.html