3-[bis(3,5-diethylpyrazol-3-yl)methyl]-3,5-diethyl-pyrazole; titanium(2+); tribromide

Systemtic Name: 3-[bis(3,5-diethylpyrazol-3-yl)methyl]-3,5-diethyl-pyrazole; titanium(2+); tribromide Openeye Name: 3-[bis(3,5-diethylpyrazol-3-yl)methyl]-3,5-diethyl-pyrazole; titanium(2+); tribromide CAS Name: 3-[bis(3,5-diethyl-3-pyrazolyl)methyl]-3,5-diethylpyrazole; titanium(2+); tribromide IUPAC Name: 3-[bis(3,5-diethylpyrazol-3-yl)methyl]-3,5-diethylpyrazole; titanium(2+); tribromide Traditional Name: 3-[bis(3,5-diethylpyrazol-3-yl)methyl]-3,5-diethyl-pyrazole; titanium(2+); tribromide Formula: C22H33Br3N6Ti-2 MolecularWeight: 669.11662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(N=N1)(CC)[C-](C2(C=C(N=N2)CC)CC)C3(C=C(N=N3)CC)CC.[Ti+2].[Br-].[Br-].[Br-]

Isomeric SMILES

CCC1=CC(N=N1)(CC)[C-](C2(C=C(N=N2)CC)CC)C3(C=C(N=N3)CC)CC.[Ti+2].[Br-].[Br-].[Br-]

InChI

InChI=1S/C22H33N6.3BrH.Ti/c1-7-16-13-20(10-4,26-23-16)19(21(11-5)14-17(8-2)24-27-21)22(12-6)15-18(9-3)25-28-22;;;;/h13-15H,7-12H2,1-6H3;3*1H;/q-1;;;;+2/p-3