bis(chloranyl)iron(1+); [6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium; tetrachloride

Systemtic Name: bis(chloranyl)iron(1+); [6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium; tetrachloride Openeye Name: dichloroiron(1+); [6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium; tetrachloride CAS Name: dichloroiron(1+); [6-(diethylamino)-3-xanthenylidene]-diethylammonium; tetrachloride IUPAC Name: dichloroiron(1+); [6-(diethylamino)xanthen-3-ylidene]-diethylazanium; tetrachloride Traditional Name: dichloroiron(1+); [6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium; tetrachloride Formula: C42H54Cl8Fe2N4O2 MolecularWeight: 1042.21776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-].[Cl-].[Cl-].[Cl-].Cl[Fe+]Cl.Cl[Fe+]Cl

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-].[Cl-].[Cl-].[Cl-].Cl[Fe+]Cl.Cl[Fe+]Cl

InChI

InChI=1S/2C21H27N2O.8ClH.2Fe/c2*1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;;;;;;;;;;/h2*9-15H,5-8H2,1-4H3;8*1H;;/q2*+1;;;;;;;;;2*+3/p-8