1-[4-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]butyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diiodide

Systemtic Name: 1-[4-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]butyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diiodide Openeye Name: 1-[4-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]butyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diiodide CAS Name: 1-[4-[[2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-5-(methylthio)-1,3-dithiol-4-yl]thio]butyl]-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium diiodide IUPAC Name: 1-[4-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]butyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diiodide Traditional Name: 1-[4-[[2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-5-(methylthio)-1,3-dithiol-4-yl]thio]butyl]-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium diiodide Formula: C24H28I2N2S8 MolecularWeight: 854.82146

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCSC3=C(SC(=C4SC(=C(S4)SC)SC)S3)SC.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCSC3=C(SC(=C4SC(=C(S4)SC)SC)S3)SC.[I-].[I-]

InChI

InChI=1S/C24H28N2S8.2HI/c1-25-12-7-17(8-13-25)18-9-14-26(15-10-18)11-5-6-16-30-22-21(29-4)33-24(34-22)23-31-19(27-2)20(28-3)32-23;;/h7-10,12-15H,5-6,11,16H2,1-4H3;2*1H/q+2;;/p-2