manganese(2+); tris[3-(1-adamantyl)pyrazol-1-yl]boron(1-)

Systemtic Name: manganese(2+); tris[3-(1-adamantyl)pyrazol-1-yl]boron(1-) Openeye Name: manganous tris[3-(1-adamantyl)pyrazol-1-yl]boron(1-) CAS Name: manganese(2+); tris[3-(1-adamantyl)-1-pyrazolyl]boron(1-) IUPAC Name: manganese(2+); tris[3-(1-adamantyl)pyrazol-1-yl]boron(1-) Traditional Name: manganous tris[3-(1-adamantyl)pyrazol-1-yl]boron(1-) Formula: C39H51BMnN6+ MolecularWeight: 669.611489

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC(=N1)C23CC4CC(C2)CC(C4)C3)(N5C=CC(=N5)C67CC8CC(C6)CC(C8)C7)N9C=CC(=N9)C12CC3CC(C1)CC(C3)C2.[Mn+2]

Isomeric SMILES

[B-](N1C=CC(=N1)C23CC4CC(C2)CC(C4)C3)(N5C=CC(=N5)C67CC8CC(C6)CC(C8)C7)N9C=CC(=N9)C12CC3CC(C1)CC(C3)C2.[Mn+2]

InChI

InChI=1S/C39H51BN6.Mn/c1-4-44(41-34(1)37-16-25-7-26(17-37)9-27(8-25)18-37)40(45-5-2-35(42-45)38-19-28-10-29(20-38)12-30(11-28)21-38)46-6-3-36(43-46)39-22-31-13-32(23-39)15-33(14-31)24-39;/h1-6,25-33H,7-24H2;/q-1;+2