2,2'-{1,3-Propanediylbis[(Dimethylammonio)-3,1-Propanediyl-1-Pyridinyl-4-Ylidene(1E)-1-Propen-1-Yl-3-Ylidene]}Bis(3-Methyl-1,3-Benzothiazol-3-Ium) Tetraiodide
[CAS# 169454-17-5]

Identification

• Name: 2,2'-{1,3-Propanediylbis[(Dimethylammonio)-3,1-Propanediyl-1-Pyridinyl-4-Ylidene(1E)-1-Propen-1-Yl-3-Ylidene]}Bis(3-Methyl-1,3-Benzothiazol-3-Ium) Tetraiodide
• Synonyms: 1,1'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diyl]}bis{4-[(1E,3E)-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]pyridinium} tetraiodide; 1,1'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diyl]}bis{4-[3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]pyridinium} tetraiodide; 2,2'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diylpyridin-1-yl-4-ylideneprop-1-en-1-yl-3-ylidene]}bis(3-methyl-1,3-benzothiazol-3-ium) tetraiodide; 2-((E)-3-[1-(3-[[3-(DIMETHYL(3-[4-[(E)-3-(3-METHYL-1,3-BENZOTHIAZOL-3-IUM-2-YL)-2-PROPENYLIDENE]-1(4H)-PYRIDINYL]PROPYL)AMMONIO)PROPYL](DIMETHYL)AMMONIO]PROPYL)-4(1H)-PYRIDINYLIDENE]-1-PROPENYL)-3-METHYL-1,3-BENZOTHIAZOL-3-IUM TETRAIODIDE
• Molecular Formula: C₄₅H₅₈I₄N₆S₂
• Molecular Weight: 1254.73
• CAS Registry Number: 169454-17-5
• SMILES: C[n+]1c2ccccc2sc1C=CC=C3C=CN(C=C3)CCC[N+](C)(C)CCC[N+](C)(C)CCCN4C=CC(=CC=Cc5[n+](c6ccccc6s5)C)C=C4.[I-].[I-].[I-].[I-]
• InChI: 1S/C45H58N6S2.4HI/c1-46-40-18-7-9-20-42(40)52-44(46)22-11-16-38-24-30-48(31-25-38)28-13-34-50(3,4)36-15-37-51(5,6)35-14-29-49-32-26-39(27-33-49)17-12-23-45-47(2)41-19-8-10-21-43(41)53-45;;;;/h7-12,16-27,30-33H,13-15,28-29,34-37H2,1-6H3;4*1H/q+4;;;;/p-4
• InChIKey: UIZZRDIAIPYKJZ-UHFFFAOYSA-J

Properties

• Refractive index: (Cal.)