1,1-dimethyl-3-(3-methylphenyl)-2-benzofuran-2-ium; tetrakis(chloranyl)iron(1-)

Systemtic Name: 1,1-dimethyl-3-(3-methylphenyl)-2-benzofuran-2-ium; tetrakis(chloranyl)iron(1-) Openeye Name: 1,1-dimethyl-3-(m-tolyl)isobenzofuran-2-ium; tetrachloroiron(1-) CAS Name: 1,1-dimethyl-3-(3-methylphenyl)isobenzofuran-2-ium; tetrachloroiron(1-) IUPAC Name: 1,1-dimethyl-3-(3-methylphenyl)-2-benzofuran-2-ium; tetrachloroiron(1-) Traditional Name: 1,1-dimethyl-3-(m-tolyl)isobenzofuran-2-ium; tetrachloroiron(1-) Formula: C17H17Cl4FeO MolecularWeight: 434.97328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=[O+]C(C3=CC=CC=C32)(C)C.Cl[Fe-](Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=[O+]C(C3=CC=CC=C32)(C)C.Cl[Fe-](Cl)(Cl)Cl

InChI

InChI=1S/C17H17O.4ClH.Fe/c1-12-7-6-8-13(11-12)16-14-9-4-5-10-15(14)17(2,3)18-16;;;;;/h4-11H,1-3H3;4*1H;/q+1;;;;;+3/p-4