[6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium; iron(2+); trichloride

Systemtic Name: [6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium; iron(2+); trichloride Openeye Name: ferrous [6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium trichloride CAS Name: [6-(diethylamino)-3-xanthenylidene]-diethylammonium; iron(2+); trichloride IUPAC Name: [6-(diethylamino)xanthen-3-ylidene]-diethylazanium; iron(2+); trichloride Traditional Name: ferrous [6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium trichloride Formula: C21H27Cl3FeN2O MolecularWeight: 485.65588

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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.[Cl-].[Cl-].[Cl-].[Fe+2]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-].[Cl-].[Cl-].[Fe+2]

InChI

InChI=1S/C21H27N2O.3ClH.Fe/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;;;;/h9-15H,5-8H2,1-4H3;3*1H;/q+1;;;;+2/p-3