manganese(2+); tris[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]boron(1-)

Systemtic Name: manganese(2+); tris[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]boron(1-) Openeye Name: manganous tris[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]boron(1-) CAS Name: manganese(2+); tris[3-(1-adamantyl)-5-methyl-1-pyrazolyl]boron(1-) IUPAC Name: manganese(2+); tris[3-(1-adamantyl)-5-methylpyrazol-1-yl]boron(1-) Traditional Name: manganous tris[3-(1-adamantyl)-5-methyl-pyrazol-1-yl]boron(1-) Formula: C42H57BMnN6+ MolecularWeight: 711.691229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H57BN6.Mn/c1-25-4-37(40-16-28-7-29(17-40)9-30(8-28)18-40)44-47(25)43(48-26(2)5-38(45-48)41-19-31-10-32(20-41)12-33(11-31)21-41)49-27(3)6-39(46-49)42-22-34-13-35(23-42)15-36(14-34)24-42;/h4-6,28-36H,7-24H2,1-3H3;/q-1;+2