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Gaussian Job Archive for C50H68N4O11Zn2
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1/C26H40N4O2.C22H27O7.C2H4O2.2Zn/c1-25(2)15-27-11-19-7-5-9-21(23(19)31)13-29-17-26(3,4)18-30-14-22-10-6-8-20(24(22)32)12-28-16-25;1-14(23)27-19-12-6-7-13-20(19)29-22(26)16-9-3-2-8-15(16)21(25)28-18-11-5-4-10-17(18)24;1-2(3)4;;/h5-10,27-32H,11-18H2,1InChIKey=UNMBHRKISAHWDW-SABICPJRSA-K[Zn]1(O[C@@H]2CCCC[C@H]2OC(c2ccccc2C(O[C@H]2[C@H](OC(=O)C)CCCC2)=O)=O)[N@H]2Cc3cccc4c3O[Zn]35([N@H](C4)CC(C[N@@H]5Cc4c(O3)c(C[N@@H]1CC(C2)(C)C)ccc4)(C)C)OC(=O)CC50H68N4O11Zn2IRC=(reverse,maxpoints=150,recalc=10,calcfc,maxcycle=40,tight,cartesOrganic Chemistry
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