1-decyl-4-[4-(1-decylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide

Systemtic Name: 1-decyl-4-[4-(1-decylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Openeye Name: 1-decyl-4-[4-(1-decylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide CAS Name: 1-decyl-4-[4-[(1-decyl-4-pyridin-1-iumyl)thio]butylthio]pyridin-1-ium dibromide IUPAC Name: 1-decyl-4-[4-(1-decylpyridin-1-ium-4-yl)sulfanylbutylsulfanyl]pyridin-1-ium dibromide Traditional Name: 1-decyl-4-[4-[(1-decylpyridin-1-ium-4-yl)thio]butylthio]pyridin-1-ium dibromide Formula: C34H58Br2N2S2 MolecularWeight: 718.77572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H58N2S2.2BrH/c1-3-5-7-9-11-13-15-17-25-35-27-21-33(22-28-35)37-31-19-20-32-38-34-23-29-36(30-24-34)26-18-16-14-12-10-8-6-4-2;;/h21-24,27-30H,3-20,25-26,31-32H2,1-2H3;2*1H/q+2;;/p-2