1-octyl-4-[10-(1-octylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide

Systemtic Name: 1-octyl-4-[10-(1-octylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide Openeye Name: 1-octyl-4-[10-(1-octylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide CAS Name: 1-octyl-4-[10-[(1-octyl-4-pyridin-1-iumyl)thio]decylthio]pyridin-1-ium diiodide IUPAC Name: 1-octyl-4-[10-(1-octylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide Traditional Name: 1-octyl-4-[10-[(1-octylpyridin-1-ium-4-yl)thio]decylthio]pyridin-1-ium diiodide Formula: C36H62I2N2S2 MolecularWeight: 840.82982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H62N2S2.2HI/c1-3-5-7-9-15-19-27-37-29-23-35(24-30-37)39-33-21-17-13-11-12-14-18-22-34-40-36-25-31-38(32-26-36)28-20-16-10-8-6-4-2;;/h23-26,29-32H,3-22,27-28,33-34H2,1-2H3;2*1H/q+2;;/p-2