3-[bis(3,5-ditert-butylpyrazol-3-yl)methyl]-3,5-ditert-butyl-pyrazole; titanium(2+); triiodide

Systemtic Name: 3-[bis(3,5-ditert-butylpyrazol-3-yl)methyl]-3,5-ditert-butyl-pyrazole; titanium(2+); triiodide Openeye Name: 3-[bis(3,5-ditert-butylpyrazol-3-yl)methyl]-3,5-ditert-butyl-pyrazole; titanium(2+); triiodide CAS Name: 3-[bis(3,5-ditert-butyl-3-pyrazolyl)methyl]-3,5-ditert-butylpyrazole; titanium(2+); triiodide IUPAC Name: 3-[bis(3,5-ditert-butylpyrazol-3-yl)methyl]-3,5-ditert-butylpyrazole; titanium(2+); triiodide Traditional Name: 3-[bis(3,5-ditert-butylpyrazol-3-yl)methyl]-3,5-ditert-butyl-pyrazole; titanium(2+); triiodide Formula: C34H57I3N6Ti MolecularWeight: 978.43699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(N=N1)([C-](C2(C=C(N=N2)C(C)(C)C)C(C)(C)C)C3(C=C(N=N3)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Ti+2].I[I-]I

Isomeric SMILES

CC(C)(C)C1=CC(N=N1)([C-](C2(C=C(N=N2)C(C)(C)C)C(C)(C)C)C3(C=C(N=N3)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Ti+2].I[I-]I

InChI

InChI=1S/C34H57N6.I3.Ti/c1-26(2,3)22-19-32(38-35-22,29(10,11)12)25(33(30(13,14)15)20-23(36-39-33)27(4,5)6)34(31(16,17)18)21-24(37-40-34)28(7,8)9;1-3-2;/h19-21H,1-18H3;;/q2*-1;+2