2-tert-butylcyclohexa-2,4-dien-1-imine; 1-(6-ethanoylpyridin-2-yl)ethanone; iron(2+); dichloride

Systemtic Name: 2-tert-butylcyclohexa-2,4-dien-1-imine; 1-(6-ethanoylpyridin-2-yl)ethanone; iron(2+); dichloride Openeye Name: ferrous; 1-(6-acetyl-2-pyridyl)ethanone; 2-tert-butylcyclohexa-2,4-dien-1-imine; dichloride CAS Name: 1-(6-acetyl-2-pyridinyl)ethanone; 2-tert-butyl-1-cyclohexa-2,4-dienimine; iron(2+); dichloride IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone; 2-tert-butylcyclohexa-2,4-dien-1-imine; iron(2+); dichloride Traditional Name: ferrous; 1-(6-acetyl-2-pyridyl)ethanone; (2-tert-butylcyclohexa-2,4-dien-1-ylidene)amine; dichloride Formula: C29H39Cl2FeN3O2 MolecularWeight: 588.38986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(=CC=C1)C(=O)C.CC(C)(C)C1=CC=CCC1=N.CC(C)(C)C1=CC=CCC1=N.[Cl-].[Cl-].[Fe+2]

Isomeric SMILES

CC(=O)C1=NC(=CC=C1)C(=O)C.CC(C)(C)C1=CC=CCC1=N.CC(C)(C)C1=CC=CCC1=N.[Cl-].[Cl-].[Fe+2]

InChI

InChI=1S/2C10H15N.C9H9NO2.2ClH.Fe/c2*1-10(2,3)8-6-4-5-7-9(8)11;1-6(11)8-4-3-5-9(10-8)7(2)12;;;/h2*4-6,11H,7H2,1-3H3;3-5H,1-2H3;2*1H;/q;;;;;+2/p-2