N-(2-tert-butylphenyl)ethanimine; N-(2-tert-butylphenyl)-1-pyridin-3-yl-ethanimine; iron(2+); chloride

Systemtic Name: N-(2-tert-butylphenyl)ethanimine; N-(2-tert-butylphenyl)-1-pyridin-3-yl-ethanimine; iron(2+); chloride Openeye Name: ferrous; N-(2-tert-butylphenyl)ethanimine; N-(2-tert-butylphenyl)-1-(3-pyridyl)ethanimine; chloride CAS Name: N-(2-tert-butylphenyl)ethanimine; N-(2-tert-butylphenyl)-1-(3-pyridinyl)ethanimine; iron(2+); chloride IUPAC Name: N-(2-tert-butylphenyl)ethanimine; N-(2-tert-butylphenyl)-1-pyridin-3-ylethanimine; iron(2+); chloride Traditional Name: ferrous; (2-tert-butylphenyl)-ethylidene-amine; (2-tert-butylphenyl)-[1-(3-pyridyl)ethylidene]amine; chloride Formula: C29H36ClFeN3 MolecularWeight: 517.91424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[C-]=NC1=CC=CC=C1C(C)(C)C.CC(=NC1=CC=CC=C1C(C)(C)C)C2=CN=CC=C2.[Cl-].[Fe+2]

Isomeric SMILES

C[C-]=NC1=CC=CC=C1C(C)(C)C.CC(=NC1=CC=CC=C1C(C)(C)C)C2=CN=CC=C2.[Cl-].[Fe+2]

InChI

InChI=1S/C17H20N2.C12H16N.ClH.Fe/c1-13(14-8-7-11-18-12-14)19-16-10-6-5-9-15(16)17(2,3)4;1-5-13-11-9-7-6-8-10(11)12(2,3)4;;/h5-12H,1-4H3;6-9H,1-4H3;1H;/q;-1;;+2/p-1