1-decyl-4-[10-(1-decylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide

Systemtic Name: 1-decyl-4-[10-(1-decylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide Openeye Name: 1-decyl-4-[10-(1-decylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide CAS Name: 1-decyl-4-[10-[(1-decyl-4-pyridin-1-iumyl)thio]decylthio]pyridin-1-ium diiodide IUPAC Name: 1-decyl-4-[10-(1-decylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium diiodide Traditional Name: 1-decyl-4-[10-[(1-decylpyridin-1-ium-4-yl)thio]decylthio]pyridin-1-ium diiodide Formula: C40H70I2N2S2 MolecularWeight: 896.93614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=C(C=C1)SCCCCCCCCCCSC2=CC=[N+](C=C2)CCCCCCCCCC.[I-].[I-]

InChI

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