1-dodecyl-4-[8-(1-dodecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide

Systemtic Name: 1-dodecyl-4-[8-(1-dodecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide Openeye Name: 1-dodecyl-4-[8-(1-dodecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide CAS Name: 1-dodecyl-4-[8-[(1-dodecyl-4-pyridin-1-iumyl)thio]octylthio]pyridin-1-ium diiodide IUPAC Name: 1-dodecyl-4-[8-(1-dodecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide Traditional Name: 1-lauryl-4-[8-[(1-laurylpyridin-1-ium-4-yl)thio]octylthio]pyridin-1-ium diiodide Formula: C42H74I2N2S2 MolecularWeight: 924.9893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H74N2S2.2HI/c1-3-5-7-9-11-13-15-17-21-25-33-43-35-29-41(30-36-43)45-39-27-23-19-20-24-28-40-46-42-31-37-44(38-32-42)34-26-22-18-16-14-12-10-8-6-4-2;;/h29-32,35-38H,3-28,33-34,39-40H2,1-2H3;2*1H/q+2;;/p-2