tridodecyl-[1-(tridodecylazaniumyl)octan-4-yl]azanium diiodide

Systemtic Name: tridodecyl-[1-(tridodecylazaniumyl)octan-4-yl]azanium diiodide Openeye Name: tridodecyl-[4-(tridodecylammonio)octyl]ammonium diiodide CAS Name: tridodecyl-[1-(tridodecylammonio)octan-4-yl]ammonium diiodide IUPAC Name: tridodecyl-[1-(tridodecylazaniumyl)octan-4-yl]azanium diiodide Traditional Name: trilauryl-[4-(trilaurylammonio)octyl]ammonium diiodide Formula: C80H166I2N2 MolecularWeight: 1409.99638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C80H166N2.2HI/c1-8-15-22-28-34-40-46-52-58-64-73-81(74-65-59-53-47-41-35-29-23-16-9-2,75-66-60-54-48-42-36-30-24-17-10-3)76-70-72-80(71-21-14-7)82(77-67-61-55-49-43-37-31-25-18-11-4,78-68-62-56-50-44-38-32-26-19-12-5)79-69-63-57-51-45-39-33-27-20-13-6;;/h80H,8-79H2,1-7H3;2*1H/q+2;;/p-2