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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.C16H18O6.C6H10O.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;1-10(17)21-13-8-4-5-9-14(13)22-16(20)12-7-3-2-6-11(12)15(18)19;1-2-4-6-5(3-1)7-6;1-2(3)4;;/h5-10,27-32H,11-18H2,InChIKey=VMCQDMLVMSGGKV-HUXLSWMESA-K[Zn]123(Oc4c5cccc4C[N@@H]1CC(C[N@@H]3Cc1c3O[Zn@]4([N@@H](C5)CC(C)(C[N@H]4Cc3ccc1)C)O[C@H](O2)C)(C)C)OC(c1ccccc1C(O[C@H]1[C@H](OC(=O)C)CCCC1)=O)=O.O1[C@@H]2CCCC[C@H]12C50H68N4O11Zn2IRC=(forward,maxpoints=150,recalc=10,calcfc,maxcycle=40,tight,cartesOrganic Chemistry
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