4-[2,3-bis[4-(triethylazaniumyl)but-2-ynoxy]phenoxy]but-2-ynyl-triethyl-azanium triiodide

Systemtic Name: 4-[2,3-bis[4-(triethylazaniumyl)but-2-ynoxy]phenoxy]but-2-ynyl-triethyl-azanium triiodide Openeye Name: 4-[2,3-bis[4-(triethylammonio)but-2-ynoxy]phenoxy]but-2-ynyl-triethyl-ammonium triiodide CAS Name: 4-[2,3-bis[4-(triethylammonio)but-2-ynoxy]phenoxy]but-2-ynyl-triethylammonium triiodide IUPAC Name: 4-[2,3-bis[4-(triethylazaniumyl)but-2-ynoxy]phenoxy]but-2-ynyl-triethylazanium triiodide Traditional Name: 4-[2,3-bis[4-(triethylammonio)but-2-ynoxy]phenoxy]but-2-ynyl-triethyl-ammonium triiodide Formula: C36H60I3N3O3 MolecularWeight: 963.59331

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC#CCOC1=C(C(=CC=C1)OCC#CC[N+](CC)(CC)CC)OCC#CC[N+](CC)(CC)CC.[I-].[I-].[I-]

Isomeric SMILES

CC[N+](CC)(CC)CC#CCOC1=C(C(=CC=C1)OCC#CC[N+](CC)(CC)CC)OCC#CC[N+](CC)(CC)CC.[I-].[I-].[I-]

InChI

InChI=1S/C36H60N3O3.3HI/c1-10-37(11-2,12-3)28-19-22-31-40-34-26-25-27-35(41-32-23-20-29-38(13-4,14-5)15-6)36(34)42-33-24-21-30-39(16-7,17-8)18-9;;;/h25-27H,10-18,28-33H2,1-9H3;3*1H/q+3;;;/p-3