1-octyl-4-[4-(1-octylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide

Systemtic Name: 1-octyl-4-[4-(1-octylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Openeye Name: 1-octyl-4-[4-(1-octylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide CAS Name: 1-octyl-4-[4-[(1-octyl-4-pyridin-1-iumyl)thio]butylthio]pyridin-1-ium dibromide IUPAC Name: 1-octyl-4-[4-(1-octylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Traditional Name: 1-octyl-4-[4-[(1-octylpyridin-1-ium-4-yl)thio]butylthio]pyridin-1-ium dibromide Formula: C30H50Br2N2S2 MolecularWeight: 662.6694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=C(C=C1)SCCCCSC2=CC=[N+](C=C2)CCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=C(C=C1)SCCCCSC2=CC=[N+](C=C2)CCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C30H50N2S2.2BrH/c1-3-5-7-9-11-13-21-31-23-17-29(18-24-31)33-27-15-16-28-34-30-19-25-32(26-20-30)22-14-12-10-8-6-4-2;;/h17-20,23-26H,3-16,21-22,27-28H2,1-2H3;2*1H/q+2;;/p-2