iron(3+); 2-[1-methoxy-2-methyl-1-(1-methylimidazol-2-yl)-2-(1-propan-2-ylimidazol-4-yl)propyl]-1-methyl-imidazole

Systemtic Name: iron(3+); 2-[1-methoxy-2-methyl-1-(1-methylimidazol-2-yl)-2-(1-propan-2-ylimidazol-4-yl)propyl]-1-methyl-imidazole Openeye Name: ferric 1-isopropyl-4-[2-methoxy-1,1-dimethyl-2,2-bis(1-methylimidazol-2-yl)ethyl]imidazole CAS Name: iron(3+); 2-[1-methoxy-2-methyl-1-(1-methyl-2-imidazolyl)-2-(1-propan-2-yl-4-imidazolyl)propyl]-1-methylimidazole IUPAC Name: iron(3+); 2-[1-methoxy-2-methyl-1-(1-methylimidazol-2-yl)-2-(1-propan-2-ylimidazol-4-yl)propyl]-1-methylimidazole Traditional Name: ferric 1-isopropyl-4-[2-methoxy-1,1-dimethyl-2,2-bis(1-methylimidazol-2-yl)ethyl]imidazole Formula: C38H56FeN12O2+3 MolecularWeight: 768.77544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(N=C1)C(C)(C)C(C2=NC=CN2C)(C3=NC=CN3C)OC.CC(C)N1C=C(N=C1)C(C)(C)C(C2=NC=CN2C)(C3=NC=CN3C)OC.[Fe+3]

Isomeric SMILES

CC(C)N1C=C(N=C1)C(C)(C)C(C2=NC=CN2C)(C3=NC=CN3C)OC.CC(C)N1C=C(N=C1)C(C)(C)C(C2=NC=CN2C)(C3=NC=CN3C)OC.[Fe+3]

InChI

InChI=1S/2C19H28N6O.Fe/c2*1-14(2)25-12-15(22-13-25)18(3,4)19(26-7,16-20-8-10-23(16)5)17-21-9-11-24(17)6;/h2*8-14H,1-7H3;/q;;+3