| SpectraBase Spectrum ID |
3TD08U69LHQ |
| Name |
1,1':3,3'-Bis(tetra(ethyleneglycol))bis(benzimidazolium) Ditosylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H56N4O12S2 |
| InChI |
InChI=1S/C30H42N4O6.2C7H8O3S/c1-2-6-28-27(5-1)31-9-13-35-17-21-39-23-19-37-15-11-33-26-34(30-8-4-3-7-29(30)33)12-16-38-20-24-40-22-18-36-14-10-32(28)25-31;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-8,25-26H,9-24H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2 |
| InChIKey |
UGCBXCSYUICCRI-UHFFFAOYSA-L |
| Molecular Weight |
897.068 g/mol |
| SMILES |
c1(S([O-])(=O)=O)ccc(cc1)C.c1[n+]2CCOCCOCCOCC[n+]3c[n](CCOCCOCCOCC[n]1c1c2cccc1)c1c3cccc1.c1(S([O-])(=O)=O)ccc(C)cc1 |
| SPLASH |
splash10-002b-0900000600-a11046fef72ca02ee061 |
| Source of Spectrum |
F-70-5812-8 |
| Wiley ID |
1597182 |
