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SMILES: s1c(c(C)cc1C(OCC)OCC)Br Canonical SMILES: CCOC(c1cc(c(s1)Br)C)OCC InChI: InChI=1S/C10H15BrO2S/c1-4-12-10(13-5-2)8-6-7(3)9(11)14-8/h6,10H,4-5H2,1-3H3 InChIKey: XIHFWFIXJSZBPH-UHFFFAOYSA-N
CBID:87613 http://www.chembase.cn/molecule-87613.html