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1-dodecyl-2-[6-(1-dodecylpyridin-1-ium-2-yl)sulfanylhexylsulfanyl]pyridin-1-ium dibromide

1-dodecyl-2-[6-(1-dodecylpyridin-1-ium-2-yl)sulfanylhexylsulfanyl]pyridin-1-ium dibromide

Systemtic Name:1-dodecyl-2-[6-(1-dodecylpyridin-1-ium-2-yl)sulfanylhexylsulfanyl]pyridin-1-ium dibromide
Openeye Name:1-dodecyl-2-[6-(1-dodecylpyridin-1-ium-2-yl)sulfanylhexylsulfanyl]pyridin-1-ium dibromide
CAS Name:1-dodecyl-2-[6-[(1-dodecyl-2-pyridin-1-iumyl)thio]hexylthio]pyridin-1-ium dibromide
IUPAC Name:1-dodecyl-2-[6-(1-dodecylpyridin-1-ium-2-yl)sulfanylhexylsulfanyl]pyridin-1-ium dibromide
Traditional Name:1-lauryl-2-[6-[(1-laurylpyridin-1-ium-2-yl)thio]hexylthio]pyridin-1-ium dibromide
Formula: C40H70Br2N2S2
MolecularWeight: 802.9352
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1SCCCCCCSC2=CC=CC=[N+]2CCCCCCCCCCCC.[Br-].[Br-]


Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1SCCCCCCSC2=CC=CC=[N+]2CCCCCCCCCCCC.[Br-].[Br-]


InChI

InChI=1S/C40H70N2S2.2BrH/c1-3-5-7-9-11-13-15-17-19-25-33-41-35-27-23-31-39(41)43-37-29-21-22-30-38-44-40-32-24-28-36-42(40)34-26-20-18-16-14-12-10-8-6-4-2;;/h23-24,27-28,31-32,35-36H,3-22,25-26,29-30,33-34,37-38H2,1-2H3;2*1H/q+2;;/p-2


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