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SMILES: c1(c(ccc(c1)Br)OCCC(C)C)C=O Canonical SMILES: O=Cc1cc(Br)ccc1OCCC(C)C InChI: InChI=1S/C12H15BrO2/c1-9(2)5-6-15-12-4-3-11(13)7-10(12)8-14/h3-4,7-9H,5-6H2,1-2H3 InChIKey: NKBXANRVXQBCDL-UHFFFAOYSA-N
CBID:26014 http://www.chembase.cn/molecule-26014.html