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

Systemtic Name: pentazinc; azanide; 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]imidazole Openeye Name: pentazinc; azanide; 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]imidazole CAS Name: pentazinc; azanide; 1-[[3,5-bis(1-imidazolylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole IUPAC Name: pentazinc; azanide; 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole Traditional Name: pentazinc; azanide; 1-[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethyl-benzyl]imidazole Formula: C42H56N16Zn5+6 MolecularWeight: 1112.04624

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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-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+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-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/2C21H24N6.4H2N.5Zn/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;;4*-1;5*+2