10-[4-[1-(10-sulfanyldecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]decane-1-thiol dibromide

Systemtic Name: 10-[4-[1-(10-sulfanyldecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]decane-1-thiol dibromide Openeye Name: 10-[4-[1-(10-sulfanyldecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]decane-1-thiol dibromide CAS Name: 10-[4-[1-(10-mercaptodecyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-1-decanethiol dibromide IUPAC Name: 10-[4-[1-(10-sulfanyldecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]decane-1-thiol dibromide Traditional Name: 10-[4-[1-(10-mercaptodecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]decane-1-thiol dibromide Formula: C30H50Br2N2S2 MolecularWeight: 662.6694

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCCCCCCCCCS)CCCCCCCCCCS.[Br-].[Br-]

Isomeric SMILES

C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCCCCCCCCCS)CCCCCCCCCCS.[Br-].[Br-]

InChI

InChI=1S/C30H48N2S2.2BrH/c33-27-15-11-7-3-1-5-9-13-21-31-23-17-29(18-24-31)30-19-25-32(26-20-30)22-14-10-6-2-4-8-12-16-28-34;;/h17-20,23-26H,1-16,21-22,27-28H2;2*1H