1-octadecyl-4-[10-(1-octadecylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide

Systemtic Name: 1-octadecyl-4-[10-(1-octadecylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide Openeye Name: 1-octadecyl-4-[10-(1-octadecylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide CAS Name: 1-octadecyl-4-[10-[(1-octadecyl-4-pyridin-1-iumyl)thio]decylthio]pyridin-1-ium diiodide IUPAC Name: 1-octadecyl-4-[10-(1-octadecylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide Traditional Name: 1-stearyl-4-[10-[(1-stearylpyridin-1-ium-4-yl)thio]decylthio]pyridin-1-ium diiodide Formula: C56H102I2N2S2 MolecularWeight: 1121.36142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C56H102N2S2.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-47-57-49-43-55(44-50-57)59-53-41-37-33-29-30-34-38-42-54-60-56-45-51-58(52-46-56)48-40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h43-46,49-52H,3-42,47-48,53-54H2,1-2H3;2*1H/q+2;;/p-2