1-hexadecyl-4-[6-(1-hexadecylpyridin-1-ium-4-yl)sulfanylhexylsulfanyl]pyridin-1-ium diiodide

Systemtic Name: 1-hexadecyl-4-[6-(1-hexadecylpyridin-1-ium-4-yl)sulfanylhexylsulfanyl]pyridin-1-ium diiodide Openeye Name: 1-hexadecyl-4-[6-(1-hexadecylpyridin-1-ium-4-yl)sulfanylhexylsulfanyl]pyridin-1-ium diiodide CAS Name: 1-hexadecyl-4-[6-[(1-hexadecyl-4-pyridin-1-iumyl)thio]hexylthio]pyridin-1-ium diiodide IUPAC Name: 1-hexadecyl-4-[6-(1-hexadecylpyridin-1-ium-4-yl)sulfanylhexylsulfanyl]pyridin-1-ium diiodide Traditional Name: 1-cetyl-4-[6-[(1-cetylpyridin-1-ium-4-yl)thio]hexylthio]pyridin-1-ium diiodide Formula: C48H86I2N2S2 MolecularWeight: 1009.14878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C48H86N2S2.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-39-49-41-35-47(36-42-49)51-45-33-29-30-34-46-52-48-37-43-50(44-38-48)40-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h35-38,41-44H,3-34,39-40,45-46H2,1-2H3;2*1H/q+2;;/p-2