methylbenzene; titanium(2+); tri(pyrazol-1-yl)boron(1-)

Systemtic Name: methylbenzene; titanium(2+); tri(pyrazol-1-yl)boron(1-) Openeye Name: methylbenzene; titanium(2+); tri(pyrazol-1-yl)boron(1-) CAS Name: methylbenzene; titanium(2+); tris(1-pyrazolyl)boron(1-) IUPAC Name: methylbenzene; titanium(2+); tri(pyrazol-1-yl)boron(1-) Traditional Name: methylbenzene; titanium(2+); tri(pyrazol-1-yl)boron(1-) Formula: C23H23BN6Ti- MolecularWeight: 442.14692

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.CC1=C[C-]=CC=C1.CC1=C[C-]=CC=C1.[Ti+2]

Isomeric SMILES

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.CC1=C[C-]=CC=C1.CC1=C[C-]=CC=C1.[Ti+2]

InChI

InChI=1S/C9H9BN6.2C7H7.Ti/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-7-5-3-2-4-6-7;/h1-9H;2*2-3,5-6H,1H3;/q3*-1;+2