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SMILES: c1c(c(cc(c1)C[C@H](C(=O)O)NC(=O)C)I)O.O Canonical SMILES: CC(=O)N[C@@H](C(=O)O)Cc1ccc(c(c1)I)O.O InChI: InChI=1S/C11H12INO4.H2O/c1-6(14)13-9(11(16)17)5-7-2-3-10(15)8(12)4-7;/h2-4,9,15H,5H2,1H3,(H,13,14)(H,16,17);1H2/t9-;/m1./s1 InChIKey: HBYKXDRMDNLYTR-SBSPUUFOSA-N
CBID:159330 http://www.chembase.cn/molecule-159330.html