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SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)C.CCN=O.C=C=N Canonical SMILES: Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C.O=NCC.C=C=N InChI: InChI=1S/C13H19BO2.C2H5NO.C2H3N/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14;1-2-3-4;1-2-3/h6-9H,1-5H3;2H2,1H3;3H,1H2 InChIKey: YJPNMILMMOEKRP-UHFFFAOYSA-N
CBID:298218 http://www.chembase.cn/molecule-298218.html