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Details

Stereochemistry ACHIRAL
Molecular Formula C26H20ClN7O10S3
Molecular Weight 722.126
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-[[4-Chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid

SMILES

CN(C1=CC=CC=C1)C2=NC(NC3=C4C(=CC(=C3)S(O)(=O)=O)C=C(C(\N=N\C5=C(C=CC=C5)S(O)(=O)=O)=C4O)S(O)(=O)=O)=NC(Cl)=N2

InChI

InChIKey=RSCFBSYAPQOCQT-ULIFNZDWSA-N
InChI=1S/C26H20ClN7O10S3/c1-34(15-7-3-2-4-8-15)26-30-24(27)29-25(31-26)28-18-13-16(45(36,37)38)11-14-12-20(47(42,43)44)22(23(35)21(14)18)33-32-17-9-5-6-10-19(17)46(39,40)41/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31)/b33-32+

HIDE SMILES / InChI

Molecular Formula C26H20ClN7O10S3
Molecular Weight 722.126
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 Wed Apr 02 21:23:43 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:43 GMT 2025
Record UNII
CW2FFH2A74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-
Preferred Name English
5-[[4-Chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
Systematic Name English
Code System Code Type Description
CAS
69571-19-3
Created by admin on Wed Apr 02 21:23:43 GMT 2025 , Edited by admin on Wed Apr 02 21:23:43 GMT 2025
PRIMARY
PUBCHEM
160060
Created by admin on Wed Apr 02 21:23:43 GMT 2025 , Edited by admin on Wed Apr 02 21:23:43 GMT 2025
PRIMARY
FDA UNII
CW2FFH2A74
Created by admin on Wed Apr 02 21:23:43 GMT 2025 , Edited by admin on Wed Apr 02 21:23:43 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT