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SMILES: Cc1c(CCC(=O)O)c2=Cc3c(CCC(=O)O)c(C)c4C=C5[N+]6=C(C=C7[N+]8=C(C=c1n2[Fe@]68n34)C(=O)[C@@]7(C)CC(=O)O)C(=O)[C@]5(C)CC(=O)O Canonical SMILES: OC(=O)CCc1c(C)c2n3c1C=c1c(CCC(=O)O)c(c4=CC5=[N+]6[Fe@]3(n14)[N+]1=C(C(=O)[C@](C1=C2)(C)CC(=O)O)C=C6[C@](C5=O)(C)CC(=O)O)C InChI: InChI=1S/C34H34N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h9-12H,5-8,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+4/p-2/t33-,34+;/m1./s1 InChIKey: LZXRDVBJJHBQJH-VBAOBBRWSA-L
CBID:3145 http://www.chembase.cn/molecule-3145.html