2-methanidyl-2-methyl-propane; titanium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-)

Systemtic Name: 2-methanidyl-2-methyl-propane; titanium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-) Openeye Name: 2-methanidyl-2-methyl-propane; titanium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-) CAS Name: 2-methanidyl-2-methylpropane; titanium(3+); tris(3,5-dimethyl-1-pyrazolyl)boron(1-) IUPAC Name: 2-methanidyl-2-methylpropane; titanium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-) Traditional Name: 2-methanidyl-2-methyl-propane; titanium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-) Formula: C30H54BN6Ti- MolecularWeight: 557.46796

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.CC(C)(C)[CH2-].CC(C)(C)[CH2-].CC(C)(C)[CH2-].[Ti+3]

Isomeric SMILES

[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.CC(C)(C)[CH2-].CC(C)(C)[CH2-].CC(C)(C)[CH2-].[Ti+3]

InChI

InChI=1S/C15H21BN6.3C5H11.Ti/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;3*1-5(2,3)4;/h7-9H,1-6H3;3*1H2,2-4H3;/q4*-1;+3