methanidylbenzene; titanium(3+); tris(3,4,5-trimethylpyrazol-1-yl)boron(1-)

Systemtic Name: methanidylbenzene; titanium(3+); tris(3,4,5-trimethylpyrazol-1-yl)boron(1-) Openeye Name: methanidylbenzene; titanium(3+); tris(3,4,5-trimethylpyrazol-1-yl)boron(1-) CAS Name: methanidylbenzene; titanium(3+); tris(3,4,5-trimethyl-1-pyrazolyl)boron(1-) IUPAC Name: methanidylbenzene; titanium(3+); tris(3,4,5-trimethylpyrazol-1-yl)boron(1-) Traditional Name: methanidylbenzene; titanium(3+); tris(3,4,5-trimethylpyrazol-1-yl)boron(1-) Formula: C39H48BN6Ti- MolecularWeight: 659.51662

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C(=C(C(=N1)C)C)C)(N2C(=C(C(=N2)C)C)C)N3C(=C(C(=N3)C)C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Ti+3]

Isomeric SMILES

[B-](N1C(=C(C(=N1)C)C)C)(N2C(=C(C(=N2)C)C)C)N3C(=C(C(=N3)C)C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Ti+3]

InChI

InChI=1S/C18H27BN6.3C7H7.Ti/c1-10-13(4)20-23(16(10)7)19(24-17(8)11(2)14(5)21-24)25-18(9)12(3)15(6)22-25;3*1-7-5-3-2-4-6-7;/h1-9H3;3*2-6H,1H2;/q4*-1;+3