N,N'-ditert-butyl-2,3-diphenyl-buta-1,3-diene-1,4-diimine; iron(3+); 2-isocyano-2-methyl-propane

Systemtic Name: N,N'-ditert-butyl-2,3-diphenyl-buta-1,3-diene-1,4-diimine; iron(3+); 2-isocyano-2-methyl-propane Openeye Name: ferric; N,N'-ditert-butyl-2,3-diphenyl-buta-1,3-diene-1,4-diimine; 2-isocyano-2-methyl-propane CAS Name: N,N'-ditert-butyl-2,3-diphenylbuta-1,3-diene-1,4-diimine; iron(3+); 2-isocyano-2-methylpropane IUPAC Name: N,N'-ditert-butyl-2,3-diphenylbuta-1,3-diene-1,4-diimine; iron(3+); 2-isocyano-2-methylpropane Traditional Name: ferric; tert-butyl-(4-tert-butylimino-2,3-diphenyl-buta-1,3-dienylidene)amine; 2-isocyano-2-methyl-propane Formula: C39H55FeN5+3 MolecularWeight: 649.7325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C=C(C1=CC=CC=C1)C(=C=NC(C)(C)C)C2=CC=CC=C2.CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].[Fe+3]

Isomeric SMILES

CC(C)(C)N=C=C(C1=CC=CC=C1)C(=C=NC(C)(C)C)C2=CC=CC=C2.CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].[Fe+3]

InChI

InChI=1S/C24H28N2.3C5H9N.Fe/c1-23(2,3)25-17-21(19-13-9-7-10-14-19)22(18-26-24(4,5)6)20-15-11-8-12-16-20;3*1-5(2,3)6-4;/h7-16H,1-6H3;3*1-3H3;/q;;;;+3