1-hexadecyl-4-[8-(1-hexadecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide

Systemtic Name: 1-hexadecyl-4-[8-(1-hexadecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide Openeye Name: 1-hexadecyl-4-[8-(1-hexadecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide CAS Name: 1-hexadecyl-4-[8-[(1-hexadecyl-4-pyridin-1-iumyl)thio]octylthio]pyridin-1-ium diiodide IUPAC Name: 1-hexadecyl-4-[8-(1-hexadecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide Traditional Name: 1-cetyl-4-[8-[(1-cetylpyridin-1-ium-4-yl)thio]octylthio]pyridin-1-ium diiodide Formula: C50H90I2N2S2 MolecularWeight: 1037.20194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C50H90N2S2.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-41-51-43-37-49(38-44-51)53-47-35-31-27-28-32-36-48-54-50-39-45-52(46-40-50)42-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h37-40,43-46H,3-36,41-42,47-48H2,1-2H3;2*1H/q+2;;/p-2