Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H23N3O17S5 |
| Molecular Weight | 845.828 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C2C(NC(=O)C3=CC=CC=C3)=CC=C(C2=CC(=C1\N=N\C4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
InChI
InChIKey=HSJBBWGHTCAERA-QNEJGDQOSA-N
InChI=1S/C29H23N3O17S5/c33-27-25-20(23(51(37,38)39)11-10-21(25)30-29(34)16-4-2-1-3-5-16)15-24(52(40,41)42)26(27)32-31-22-9-6-17-14-18(7-8-19(17)28(22)53(43,44)45)50(35,36)13-12-49-54(46,47)48/h1-11,14-15,33H,12-13H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/b32-31+
| Molecular Formula | C29H23N3O17S5 |
| Molecular Weight | 845.828 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 18:14:43 GMT 2025
by
admin
on
Wed Apr 02 18:14:43 GMT 2025
|
| Record UNII |
N8TA5836K4
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
Download
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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91667-02-6
Created by
admin on Wed Apr 02 18:14:43 GMT 2025 , Edited by admin on Wed Apr 02 18:14:43 GMT 2025
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PRIMARY | |||
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N8TA5836K4
Created by
admin on Wed Apr 02 18:14:43 GMT 2025 , Edited by admin on Wed Apr 02 18:14:43 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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![Structure of 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, tetrasodium salt](/img/d2d10f41-50b1-4548-a798-2a6aa189ef7d.svg "Structure of 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, tetrasodium salt")