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Gaussian Job Archive for C52H74N4O10Zn2
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1/C34H56N4O2.C8H4O3.C8H13O3.C2H4O2.2Zn/c1-31(2,3)27-11-23-15-35-19-33(7,8)21-37-17-25-13-28(32(4,5)6)14-26(30(25)40)18-38-22-34(9,10)20-36-16-24(12-27)29(23)39;9-7-5-3-1-2-4-6(5)8(10)11-7;1-6(9)11-8-5-3-2-4-7(8)10;1-2(3)4;;/h11-14,35-40H,15-22H2,1-1InChIKey=XYVQSBVLEDDWBX-YGAZEPLSSA-L[Zn]123(O[C@@H](C)O[Zn@@]45Oc6c7cc(C(C)(C)C)cc6C[N@@H]4CC(C)(C[N@@H]5Cc4c(c(C[N@@H]2CC(C)(C)C[N@H]1C7)cc(C(C)(C)C)c4)O3)C)O[C@H]1[C@H](OC(=O)C)CCCC1.c1cccc2c1C(=O)OC2=OC52H74N4O10Zn2FreqwB97XD/Genintegral=(acc2e=12,grid=ultrafine)temperature=373.1Organic Chemistry
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