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SMILES: [Nd+3].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-] Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Nd+3] InChI: InChI=1S/3C5H8O2.Nd/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3 InChIKey: BDEXOUZTFQVNOF-UHFFFAOYSA-K
CBID:112377 http://www.chembase.cn/molecule-112377.html