carbanide; titanium(3+); tris(3,5-diethylpyrazol-3-yl)boron(1-)

Systemtic Name: carbanide; titanium(3+); tris(3,5-diethylpyrazol-3-yl)boron(1-) Openeye Name: carbanide; titanium(3+); tris(3,5-diethylpyrazol-3-yl)boron(1-) CAS Name: carbanide; titanium(3+); tris(3,5-diethyl-3-pyrazolyl)boron(1-) IUPAC Name: carbanide; titanium(3+); tris(3,5-diethylpyrazol-3-yl)boron(1-) Traditional Name: carbanide; titanium(3+); tris(3,5-diethylpyrazol-3-yl)boron(1-) Formula: C24H42BN6Ti- MolecularWeight: 473.30848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1(C=C(N=N1)CC)CC)(C2(C=C(N=N2)CC)CC)C3(C=C(N=N3)CC)CC.[CH3-].[CH3-].[CH3-].[Ti+3]

Isomeric SMILES

[B-](C1(C=C(N=N1)CC)CC)(C2(C=C(N=N2)CC)CC)C3(C=C(N=N3)CC)CC.[CH3-].[CH3-].[CH3-].[Ti+3]

InChI

InChI=1S/C21H33BN6.3CH3.Ti/c1-7-16-13-19(10-4,26-23-16)22(20(11-5)14-17(8-2)24-27-20)21(12-6)15-18(9-3)25-28-21;;;;/h13-15H,7-12H2,1-6H3;3*1H3;/q4*-1;+3