iron(2+); N-(2-propan-2-ylphenyl)ethanimine; N-(2-propan-2-ylphenyl)-1-pyridin-3-yl-ethanimine; bromide

Systemtic Name: iron(2+); N-(2-propan-2-ylphenyl)ethanimine; N-(2-propan-2-ylphenyl)-1-pyridin-3-yl-ethanimine; bromide Openeye Name: ferrous; N-(2-isopropylphenyl)ethanimine; N-(2-isopropylphenyl)-1-(3-pyridyl)ethanimine; bromide CAS Name: iron(2+); N-(2-propan-2-ylphenyl)ethanimine; N-(2-propan-2-ylphenyl)-1-(3-pyridinyl)ethanimine; bromide IUPAC Name: iron(2+); N-(2-propan-2-ylphenyl)ethanimine; N-(2-propan-2-ylphenyl)-1-pyridin-3-ylethanimine; bromide Traditional Name: ferrous; ethylidene(o-cumenyl)amine; o-cumenyl-[1-(3-pyridyl)ethylidene]amine; bromide Formula: C27H32BrFeN3 MolecularWeight: 534.31208

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]=NC1=CC=CC=C1C(C)C.CC(C)C1=CC=CC=C1N=C(C)C2=CN=CC=C2.[Fe+2].[Br-]

Isomeric SMILES

C[C-]=NC1=CC=CC=C1C(C)C.CC(C)C1=CC=CC=C1N=C(C)C2=CN=CC=C2.[Fe+2].[Br-]

InChI

InChI=1S/C16H18N2.C11H14N.BrH.Fe/c1-12(2)15-8-4-5-9-16(15)18-13(3)14-7-6-10-17-11-14;1-4-12-11-8-6-5-7-10(11)9(2)3;;/h4-12H,1-3H3;5-9H,1-3H3;1H;/q;-1;;+2/p-1