1-hexadecyl-4-[3-(1-hexadecylpyridin-1-ium-4-yl)sulfanylpropylsulfanyl]pyridin-1-ium

Systemtic Name: 1-hexadecyl-4-[3-(1-hexadecylpyridin-1-ium-4-yl)sulfanylpropylsulfanyl]pyridin-1-ium Openeye Name: 1-hexadecyl-4-[3-(1-hexadecylpyridin-1-ium-4-yl)sulfanylpropylsulfanyl]pyridin-1-ium CAS Name: 1-hexadecyl-4-[3-[(1-hexadecyl-4-pyridin-1-iumyl)thio]propylthio]pyridin-1-ium IUPAC Name: 1-hexadecyl-4-[3-(1-hexadecylpyridin-1-ium-4-yl)sulfanylpropylsulfanyl]pyridin-1-ium Traditional Name: 1-cetyl-4-[3-[(1-cetylpyridin-1-ium-4-yl)thio]propylthio]pyridin-1-ium Formula: C45H80N2S2+2 MolecularWeight: 713.2601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)SCCCSC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H80N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36-46-38-32-44(33-39-46)48-42-31-43-49-45-34-40-47(41-35-45)37-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-35,38-41H,3-31,36-37,42-43H2,1-2H3/q+2