1-octadecyl-4-[8-(1-octadecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide

Systemtic Name: 1-octadecyl-4-[8-(1-octadecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide Openeye Name: 1-octadecyl-4-[8-(1-octadecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide CAS Name: 1-octadecyl-4-[8-[(1-octadecyl-4-pyridin-1-iumyl)thio]octylthio]pyridin-1-ium diiodide IUPAC Name: 1-octadecyl-4-[8-(1-octadecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide Traditional Name: 1-stearyl-4-[8-[(1-stearylpyridin-1-ium-4-yl)thio]octylthio]pyridin-1-ium diiodide Formula: C54H98I2N2S2 MolecularWeight: 1093.30826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H98N2S2.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-45-55-47-41-53(42-48-55)57-51-39-35-31-32-36-40-52-58-54-43-49-56(50-44-54)46-38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h41-44,47-50H,3-40,45-46,51-52H2,1-2H3;2*1H/q+2;;/p-2