1-hexadecyl-4-[10-(1-hexadecylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide

Systemtic Name: 1-hexadecyl-4-[10-(1-hexadecylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide Openeye Name: 1-hexadecyl-4-[10-(1-hexadecylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide CAS Name: 1-hexadecyl-4-[10-[(1-hexadecyl-4-pyridin-1-iumyl)thio]decylthio]pyridin-1-ium diiodide IUPAC Name: 1-hexadecyl-4-[10-(1-hexadecylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide Traditional Name: 1-cetyl-4-[10-[(1-cetylpyridin-1-ium-4-yl)thio]decylthio]pyridin-1-ium diiodide Formula: C52H94I2N2S2 MolecularWeight: 1065.2551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H94N2S2.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-43-53-45-39-51(40-46-53)55-49-37-33-29-25-26-30-34-38-50-56-52-41-47-54(48-42-52)44-36-32-28-24-22-20-18-16-14-12-10-8-6-4-2;;/h39-42,45-48H,3-38,43-44,49-50H2,1-2H3;2*1H/q+2;;/p-2