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

Systemtic Name: 3-[bis(3,5-ditert-butylpyrazol-3-yl)methyl]-3,5-ditert-butyl-pyrazole; titanium(2+); tribromide Openeye Name: 3-[bis(3,5-ditert-butylpyrazol-3-yl)methyl]-3,5-ditert-butyl-pyrazole; titanium(2+); tribromide CAS Name: 3-[bis(3,5-ditert-butyl-3-pyrazolyl)methyl]-3,5-ditert-butylpyrazole; titanium(2+); tribromide IUPAC Name: 3-[bis(3,5-ditert-butylpyrazol-3-yl)methyl]-3,5-ditert-butylpyrazole; titanium(2+); tribromide Traditional Name: 3-[bis(3,5-ditert-butylpyrazol-3-yl)methyl]-3,5-ditert-butyl-pyrazole; titanium(2+); tribromide Formula: C34H57Br3N6Ti-2 MolecularWeight: 837.43558

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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].[Br-].[Br-].[Br-]

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].[Br-].[Br-].[Br-]

InChI

InChI=1S/C34H57N6.3BrH.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;;;;/h19-21H,1-18H3;3*1H;/q-1;;;;+2/p-3