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SMILES: C1(C(=O)O)(c2ccc(cc2)Br)CCCCC1 Canonical SMILES: OC(=O)C1(CCCCC1)c1ccc(cc1)Br InChI: InChI=1S/C13H15BrO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16) InChIKey: JJVXUXDLDJORKK-UHFFFAOYSA-N
CBID:255063 http://www.chembase.cn/molecule-255063.html