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SMILES: B(c1ccc(cc1)C)(O)O.CN=S(=O)=O Canonical SMILES: OB(c1ccc(cc1)C)O.CN=S(=O)=O InChI: InChI=1S/C7H9BO2.CH3NO2S/c1-6-2-4-7(5-3-6)8(9)10;1-2-5(3)4/h2-5,9-10H,1H3;1H3 InChIKey: MLIRHBXCSFIRBV-UHFFFAOYSA-N
CBID:298289 http://www.chembase.cn/molecule-298289.html