1,2-diethylbenzene; 1-ethenyl-2-ethyl-benzene; iron(3+); oxygen(2-)

Systemtic Name: 1,2-diethylbenzene; 1-ethenyl-2-ethyl-benzene; iron(3+); oxygen(2-) Openeye Name: diferric; 1,2-diethylbenzene; 1-ethyl-2-vinyl-benzene; oxygen(2-) CAS Name: 1,2-diethylbenzene; 1-ethenyl-2-ethylbenzene; iron(3+); oxygen(2-) IUPAC Name: 1,2-diethylbenzene; 1-ethenyl-2-ethylbenzene; iron(3+); oxygen(2-) Traditional Name: diferric; 1,2-diethylbenzene; 1-ethyl-2-vinyl-benzene; oxygen(2-) Formula: C20H26Fe2O3 MolecularWeight: 426.10864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CC.CCC1=CC=CC=C1C=C.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]

Isomeric SMILES

CCC1=CC=CC=C1CC.CCC1=CC=CC=C1C=C.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]

InChI

InChI=1S/C10H14.C10H12.2Fe.3O/c2*1-3-9-7-5-6-8-10(9)4-2;;;;;/h5-8H,3-4H2,1-2H3;3,5-8H,1,4H2,2H3;;;;;/q;;2*+3;3*-2