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SMILES: CC(=O)N[C@H]1CCCN2O[Fe]345(ON(CCC[C@@H]6NC(=O)[C@H](CCCN(O3)C(=[O]4)/C=C(/C)\CCOC1=O)NC6=O)C(=[O]5)/C=C(/C)\CCO)[O]=C2/C=C(\C)/CCO Canonical SMILES: OCC/C(=C/C1=[O][Fe]2345ON1CCC[C@H](NC(=O)C)C(=O)OCC/C(=C\C(=[O]3)N(O4)CCC[C@@H]1NC(=O)[C@H](CCCN(O5)C(=[O]2)/C=C(\CCO)/C)NC1=O)/C)/C InChI: InChI=1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43;/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48);/q-3;+3/b23-20-,24-21+,25-22-;/t27-,28-,29-;/m0./s1 InChIKey: FQIVLXIUJLOKPL-XKSPKKCDSA-N
CBID:1521 http://www.chembase.cn/molecule-1521.html