| SpectraBase Spectrum ID |
2QgdG84118A |
| Name |
5-Ethoxy-3-methyl-2-{(1E)-2-{4-{{(1E)-{4-{(1E)-{{4-[(1E)-2-(3-methyl-5-nitrobenzothiazol-3-ium-2-yl)diazenyl]phenyl}imino}methyl}phenyl}methylene}amino}phenyl}diazenyl}benzothiazol-3-ium Bis-(methyl Sulfate) |
| Alternate Name(s) |
5-Ethoxy-3-methyl-2-((E)-(4-(((E)-4-((E)-((4-((E)-(3-methyl-5-nitrobenzo[d]thiazol-3-ium-2-yl)diazenyl)phenyl)imino)methyl)benzylidene)amino)phenyl)diazenyl)benzo[d]thiazol-3-ium methyl sulfate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H37N9O11S4 |
| InChI |
InChI=1S/C38H31N9O3S2.2CH4O4S/c1-4-50-32-18-20-36-34(22-32)46(3)38(52-36)44-42-30-15-11-28(12-16-30)40-24-26-7-5-25(6-8-26)23-39-27-9-13-29(14-10-27)41-43-37-45(2)33-21-31(47(48)49)17-19-35(33)51-37;2*1-5-6(2,3)4/h5-24H,4H2,1-3H3;2*1H3,(H,2,3,4)/q+2;;/p-2 |
| InChIKey |
GPEIDVXAOQGWFZ-UHFFFAOYSA-L |
| Molecular Weight |
948.028 g/mol |
| SMILES |
c1(sc2c([n+]1C)cc(cc2)OCC)\N=N\c1ccc(cc1)\N=C\c1ccc(cc1)\C=N\c1ccc(cc1)\N=N\c1sc2c([n+]1C)cc(cc2)[N+](=O)[O-].COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| SPLASH |
splash10-001i-0921000000-5247687d4d98514037fb |
| Source of Spectrum |
H-95-1555-5d |
| Wiley ID |
1784488 |
![5-Ethoxy-3-methyl-2-{(1E)-2-{4-{{(1E)-{4-{(1E)-{{4-[(1E)-2-(3-methyl-5-nitrobenzothiazol-3-ium-2-yl)diazenyl]phenyl}imino}methyl}phenyl}methylene}amino}phenyl}diazenyl}benzothiazol-3-ium Bis-(methyl Sulfate)](/api/spectrum/2QgdG84118A/structure.png?h=300&w=458 "5-Ethoxy-3-methyl-2-{(1E)-2-{4-{{(1E)-{4-{(1E)-{{4-[(1E)-2-(3-methyl-5-nitrobenzothiazol-3-ium-2-yl)diazenyl]phenyl}imino}methyl}phenyl}methylene}amino}phenyl}diazenyl}benzothiazol-3-ium Bis-(methyl Sulfate)")
