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SMILES: C1(CCC(=O)CC1)(C(=O)O)c1ccc(cc1)Br Canonical SMILES: OC(=O)C1(CCC(=O)CC1)c1ccc(cc1)Br InChI: InChI=1S/C13H13BrO3/c14-10-3-1-9(2-4-10)13(12(16)17)7-5-11(15)6-8-13/h1-4H,5-8H2,(H,16,17) InChIKey: HLQYZWCMJDKGRW-UHFFFAOYSA-N
CBID:811754 http://www.chembase.cn/molecule-811754.html