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

Systemtic Name: 1-octyl-4-[10-(1-octylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium Openeye Name: 1-octyl-4-[10-(1-octylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium CAS Name: 1-octyl-4-[10-[(1-octyl-4-pyridin-1-iumyl)thio]decylthio]pyridin-1-ium IUPAC Name: 1-octyl-4-[10-(1-octylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium Traditional Name: 1-octyl-4-[10-[(1-octylpyridin-1-ium-4-yl)thio]decylthio]pyridin-1-ium Formula: C36H62N2S2+2 MolecularWeight: 587.02088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H62N2S2/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/q+2