1-tetradecyl-4-[8-(1-tetradecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide

Systemtic Name: 1-tetradecyl-4-[8-(1-tetradecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide Openeye Name: 1-tetradecyl-4-[8-(1-tetradecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide CAS Name: 1-tetradecyl-4-[8-[(1-tetradecyl-4-pyridin-1-iumyl)thio]octylthio]pyridin-1-ium diiodide IUPAC Name: 1-tetradecyl-4-[8-(1-tetradecylpyridin-1-ium-4-yl)sulfanyloctylsulfanyl]pyridin-1-ium diiodide Traditional Name: 1-myristyl-4-[8-[(1-myristylpyridin-1-ium-4-yl)thio]octylthio]pyridin-1-ium diiodide Formula: C46H82I2N2S2 MolecularWeight: 981.09562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H82N2S2.2HI/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-47-39-33-45(34-40-47)49-43-31-27-23-24-28-32-44-50-46-35-41-48(42-36-46)38-30-26-22-20-18-16-14-12-10-8-6-4-2;;/h33-36,39-42H,3-32,37-38,43-44H2,1-2H3;2*1H/q+2;;/p-2