thallium(1+); tris(5-methyl-3-phenyl-pyrazol-1-yl)boron(1-)

Systemtic Name: thallium(1+); tris(5-methyl-3-phenyl-pyrazol-1-yl)boron(1-) Openeye Name: thallium(1+); tris(5-methyl-3-phenyl-pyrazol-1-yl)boron(1-) CAS Name: thallium(1+); tris(5-methyl-3-phenyl-1-pyrazolyl)boron(1-) IUPAC Name: thallium(1+); tris(5-methyl-3-phenylpyrazol-1-yl)boron(1-) Traditional Name: thallium(1+); tris(5-methyl-3-phenyl-pyrazol-1-yl)boron(1-) Formula: C30H27BN6Tl MolecularWeight: 686.76988

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C(=CC(=N1)C2=CC=CC=C2)C)(N3C(=CC(=N3)C4=CC=CC=C4)C)N5C(=CC(=N5)C6=CC=CC=C6)C.[Tl+]

Isomeric SMILES

[B-](N1C(=CC(=N1)C2=CC=CC=C2)C)(N3C(=CC(=N3)C4=CC=CC=C4)C)N5C(=CC(=N5)C6=CC=CC=C6)C.[Tl+]

InChI

InChI=1S/C30H27BN6.Tl/c1-22-19-28(25-13-7-4-8-14-25)32-35(22)31(36-23(2)20-29(33-36)26-15-9-5-10-16-26)37-24(3)21-30(34-37)27-17-11-6-12-18-27;/h4-21H,1-3H3;/q-1;+1