azanide; 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]imidazole; manganese(2+)

Systemtic Name: azanide; 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]imidazole; manganese(2+) Openeye Name: pentamanganous; azanide; 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]imidazole CAS Name: azanide; 1-[[3,5-bis(1-imidazolylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole; manganese(2+) IUPAC Name: azanide; 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole; manganese(2+) Traditional Name: pentamanganous; azanide; 1-[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethyl-benzyl]imidazole Formula: C42H56Mn5N16+6 MolecularWeight: 1059.691485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C)CN4C=CN=C4.CC1=C(C(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C)CN4C=CN=C4.[NH2-].[NH2-].[NH2-].[NH2-].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2]

Isomeric SMILES

CC1=C(C(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C)CN4C=CN=C4.CC1=C(C(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C)CN4C=CN=C4.[NH2-].[NH2-].[NH2-].[NH2-].[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+2]

InChI

InChI=1S/2C21H24N6.5Mn.4H2N/c2*1-16-19(10-25-7-4-22-13-25)17(2)21(12-27-9-6-24-15-27)18(3)20(16)11-26-8-5-23-14-26;;;;;;;;;/h2*4-9,13-15H,10-12H2,1-3H3;;;;;;4*1H2/q;;5*+2;4*-1