Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H16ClN9O12S4.4Na |
| Molecular Weight | 938.163 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].NC1=NC(Cl)=NC(NC2=CC=C(\N=N\C3=CC=C(\N=N\C4=C(C=CC(=C4)S([O-])(=O)=O)S([O-])(=O)=O)C5=C3C=CC(=C5)S([O-])(=O)=O)C6=C2C=CC(=C6)S([O-])(=O)=O)=N1
InChI
InChIKey=ADKNJTIHAWDJKQ-ADBUYCPRSA-J
InChI=1S/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-21-6-7-23(19-11-14(52(40,41)42)1-4-17(19)21)37-36-22-8-9-24(20-12-15(53(43,44)45)2-5-18(20)22)38-39-25-13-16(54(46,47)48)3-10-26(25)55(49,50)51;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4/b37-36+,39-38+;;;;
| Molecular Formula | C29H16ClN9O12S4 |
| Molecular Weight | 846.203 |
| Charge | -4 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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
Sat Dec 16 20:21:59 GMT 2023
by
admin
on
Sat Dec 16 20:21:59 GMT 2023
|
| Record UNII |
6SL4X5SUW7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
85586-79-4
Created by
admin on Sat Dec 16 20:21:59 GMT 2023 , Edited by admin on Sat Dec 16 20:21:59 GMT 2023
|
PRIMARY | |||
|
6SL4X5SUW7
Created by
admin on Sat Dec 16 20:21:59 GMT 2023 , Edited by admin on Sat Dec 16 20:21:59 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
![Structure of 2-[[4-[[4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl]azo]-7-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonic acid](/img/76437f36-9af7-402b-b943-e6ea3ba94fd1.svg "Structure of 2-[[4-[[4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl]azo]-7-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonic acid")