1-dodecyl-4-[6-(1-dodecylpyridin-1-ium-4-yl)sulfanylhexylsulfanyl]pyridin-1-ium

Systemtic Name: 1-dodecyl-4-[6-(1-dodecylpyridin-1-ium-4-yl)sulfanylhexylsulfanyl]pyridin-1-ium Openeye Name: 1-dodecyl-4-[6-(1-dodecylpyridin-1-ium-4-yl)sulfanylhexylsulfanyl]pyridin-1-ium CAS Name: 1-dodecyl-4-[6-[(1-dodecyl-4-pyridin-1-iumyl)thio]hexylthio]pyridin-1-ium IUPAC Name: 1-dodecyl-4-[6-(1-dodecylpyridin-1-ium-4-yl)sulfanylhexylsulfanyl]pyridin-1-ium Traditional Name: 1-lauryl-4-[6-[(1-laurylpyridin-1-ium-4-yl)thio]hexylthio]pyridin-1-ium Formula: C40H70N2S2+2 MolecularWeight: 643.1272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCC

InChI

InChI=1S/C40H70N2S2/c1-3-5-7-9-11-13-15-17-19-23-31-41-33-27-39(28-34-41)43-37-25-21-22-26-38-44-40-29-35-42(36-30-40)32-24-20-18-16-14-12-10-8-6-4-2/h27-30,33-36H,3-26,31-32,37-38H2,1-2H3/q+2