Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H24ClN3O10S2.3Na |
| Molecular Weight | 696.056 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].OC1=C(C(OCCCS([O-])(=O)=O)=CC=C1)C2=NC(=NC(=N2)C3=CC=C(Cl)C=C3)C4=C(O)C=CC=C4OCCCS([O-])(=O)=O
InChI
InChIKey=AEDBRSGKPLSQJW-UHFFFAOYSA-L
InChI=1S/C27H26ClN3O10S2.2Na/c28-18-11-9-17(10-12-18)25-29-26(23-19(32)5-1-7-21(23)40-13-3-15-42(34,35)36)31-27(30-25)24-20(33)6-2-8-22(24)41-14-4-16-43(37,38)39;;/h1-2,5-12,32-33H,3-4,13-16H2,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C27H24ClN3O10S2 |
| Molecular Weight | 650.077 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 20:12:45 GMT 2025
by
admin
on
Wed Apr 02 20:12:45 GMT 2025
|
| Record UNII |
7VK9L8N7AS
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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7VK9L8N7AS
Created by
admin on Wed Apr 02 20:12:45 GMT 2025 , Edited by admin on Wed Apr 02 20:12:45 GMT 2025
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136075906
Created by
admin on Wed Apr 02 20:12:45 GMT 2025 , Edited by admin on Wed Apr 02 20:12:45 GMT 2025
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83803-41-2
Created by
admin on Wed Apr 02 20:12:45 GMT 2025 , Edited by admin on Wed Apr 02 20:12:45 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of 3,3'-[[6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diyl]bis[(3-hydroxy-2,1-phenylene)oxy]]bispropanesulfonic acid](/img/4c3870e8-2699-402e-a8bc-457c36498570.svg "Structure of 3,3'-[[6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diyl]bis[(3-hydroxy-2,1-phenylene)oxy]]bispropanesulfonic acid")