dicopper 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]imidazole

Systemtic Name: dicopper 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]imidazole Openeye Name: dicopper 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]imidazole CAS Name: dicopper 1-[[3-(1-imidazolylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole IUPAC Name: dicopper 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole Traditional Name: dicupric 1-[3-(imidazol-1-ylmethyl)-2,4,6-trimethyl-benzyl]imidazole Formula: C68H80Cu2N16+4 MolecularWeight: 1248.562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C.CC1=CC(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C.CC1=CC(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C.CC1=CC(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C.[Cu+2].[Cu+2]

Isomeric SMILES

CC1=CC(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C.CC1=CC(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C.CC1=CC(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C.CC1=CC(=C(C(=C1CN2C=CN=C2)C)CN3C=CN=C3)C.[Cu+2].[Cu+2]

InChI

InChI=1S/4C17H20N4.2Cu/c4*1-13-8-14(2)17(10-21-7-5-19-12-21)15(3)16(13)9-20-6-4-18-11-20;;/h4*4-8,11-12H,9-10H2,1-3H3;;/q;;;;2*+2