N-(4-chloranyl-2-propan-2-yl-phenyl)ethanimine; N-(4-chloranyl-2-propan-2-yl-phenyl)-1-pyridin-3-yl-ethanimine; iron(2+); chloride

Systemtic Name: N-(4-chloranyl-2-propan-2-yl-phenyl)ethanimine; N-(4-chloranyl-2-propan-2-yl-phenyl)-1-pyridin-3-yl-ethanimine; iron(2+); chloride Openeye Name: ferrous; N-(4-chloro-2-isopropyl-phenyl)ethanimine; N-(4-chloro-2-isopropyl-phenyl)-1-(3-pyridyl)ethanimine; chloride CAS Name: N-(4-chloro-2-propan-2-ylphenyl)ethanimine; N-(4-chloro-2-propan-2-ylphenyl)-1-(3-pyridinyl)ethanimine; iron(2+); chloride IUPAC Name: N-(4-chloro-2-propan-2-ylphenyl)ethanimine; N-(4-chloro-2-propan-2-ylphenyl)-1-pyridin-3-ylethanimine; iron(2+); chloride Traditional Name: ferrous; (4-chloro-2-isopropyl-phenyl)-ethylidene-amine; (4-chloro-2-isopropyl-phenyl)-[1-(3-pyridyl)ethylidene]amine; chloride Formula: C27H30Cl3FeN3 MolecularWeight: 558.7512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[C-]=NC1=C(C=C(C=C1)Cl)C(C)C.CC(C)C1=C(C=CC(=C1)Cl)N=C(C)C2=CN=CC=C2.[Cl-].[Fe+2]

Isomeric SMILES

C[C-]=NC1=C(C=C(C=C1)Cl)C(C)C.CC(C)C1=C(C=CC(=C1)Cl)N=C(C)C2=CN=CC=C2.[Cl-].[Fe+2]

InChI

InChI=1S/C16H17ClN2.C11H13ClN.ClH.Fe/c1-11(2)15-9-14(17)6-7-16(15)19-12(3)13-5-4-8-18-10-13;1-4-13-11-6-5-9(12)7-10(11)8(2)3;;/h4-11H,1-3H3;5-8H,1-3H3;1H;/q;-1;;+2/p-1