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

Systemtic Name: 2,4-dimethylcyclohexa-2,4-dien-1-imine; 1-(6-ethanoylpyridin-2-yl)ethanone; iron(2+); dichloride Openeye Name: ferrous; 1-(6-acetyl-2-pyridyl)ethanone; 2,4-dimethylcyclohexa-2,4-dien-1-imine; dichloride CAS Name: 1-(6-acetyl-2-pyridinyl)ethanone; 2,4-dimethyl-1-cyclohexa-2,4-dienimine; iron(2+); dichloride IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone; 2,4-dimethylcyclohexa-2,4-dien-1-imine; iron(2+); dichloride Traditional Name: ferrous; 1-(6-acetyl-2-pyridyl)ethanone; (2,4-dimethylcyclohexa-2,4-dien-1-ylidene)amine; dichloride Formula: C25H31Cl2FeN3O2 MolecularWeight: 532.28354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=N)C(=C1)C.CC1=CCC(=N)C(=C1)C.CC(=O)C1=NC(=CC=C1)C(=O)C.[Cl-].[Cl-].[Fe+2]

Isomeric SMILES

CC1=CCC(=N)C(=C1)C.CC1=CCC(=N)C(=C1)C.CC(=O)C1=NC(=CC=C1)C(=O)C.[Cl-].[Cl-].[Fe+2]

InChI

InChI=1S/C9H9NO2.2C8H11N.2ClH.Fe/c1-6(11)8-4-3-5-9(10-8)7(2)12;2*1-6-3-4-8(9)7(2)5-6;;;/h3-5H,1-2H3;2*3,5,9H,4H2,1-2H3;2*1H;/q;;;;;+2/p-2