1-(6-ethanoylpyridin-2-yl)ethanone; iron(2+); 2,4,6-trimethylaniline; dichloride

Systemtic Name: 1-(6-ethanoylpyridin-2-yl)ethanone; iron(2+); 2,4,6-trimethylaniline; dichloride Openeye Name: ferrous; 1-(6-acetyl-2-pyridyl)ethanone; 2,4,6-trimethylaniline; dichloride CAS Name: 1-(6-acetyl-2-pyridinyl)ethanone; iron(2+); 2,4,6-trimethylaniline; dichloride IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone; iron(2+); 2,4,6-trimethylaniline; dichloride Traditional Name: ferrous; 1-(6-acetyl-2-pyridyl)ethanone; mesidine; dichloride Formula: C27H35Cl2FeN3O2 MolecularWeight: 560.3367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.2C9H13N.2ClH.Fe/c1-6(11)8-4-3-5-9(10-8)7(2)12;2*1-6-4-7(2)9(10)8(3)5-6;;;/h3-5H,1-2H3;2*4-5H,10H2,1-3H3;2*1H;/q;;;;;+2/p-2