manganese(2+); tris(3,5-diphenylpyrazol-1-yl)boron(1-)

Systemtic Name: manganese(2+); tris(3,5-diphenylpyrazol-1-yl)boron(1-) Openeye Name: manganous tris(3,5-diphenylpyrazol-1-yl)boron(1-) CAS Name: manganese(2+); tris(3,5-diphenyl-1-pyrazolyl)boron(1-) IUPAC Name: manganese(2+); tris(3,5-diphenylpyrazol-1-yl)boron(1-) Traditional Name: manganous tris(3,5-diphenylpyrazol-1-yl)boron(1-) Formula: C45H33BMnN6+ MolecularWeight: 723.532769

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(N4C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)N7C(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9.[Mn+2]

Isomeric SMILES

[B-](N1C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(N4C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)N7C(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9.[Mn+2]

InChI

InChI=1S/C45H33BN6.Mn/c1-7-19-34(20-8-1)40-31-43(37-25-13-4-14-26-37)50(47-40)46(51-44(38-27-15-5-16-28-38)32-41(48-51)35-21-9-2-10-22-35)52-45(39-29-17-6-18-30-39)33-42(49-52)36-23-11-3-12-24-36;/h1-33H;/q-1;+2