tridodecyl-[8-(tridodecylazaniumyl)octyl]azanium diiodide

Systemtic Name: tridodecyl-[8-(tridodecylazaniumyl)octyl]azanium diiodide Openeye Name: tridodecyl-[8-(tridodecylammonio)octyl]ammonium diiodide CAS Name: tridodecyl-[8-(tridodecylammonio)octyl]ammonium diiodide IUPAC Name: tridodecyl-[8-(tridodecylazaniumyl)octyl]azanium diiodide Traditional Name: trilauryl-[8-(trilaurylammonio)octyl]ammonium diiodide Formula: C80H166I2N2 MolecularWeight: 1409.99638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C80H166N2.2HI/c1-7-13-19-25-31-37-43-49-57-65-73-81(74-66-58-50-44-38-32-26-20-14-8-2,75-67-59-51-45-39-33-27-21-15-9-3)79-71-63-55-56-64-72-80-82(76-68-60-52-46-40-34-28-22-16-10-4,77-69-61-53-47-41-35-29-23-17-11-5)78-70-62-54-48-42-36-30-24-18-12-6;;/h7-80H2,1-6H3;2*1H/q+2;;/p-2