U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C24H20N8O9S3
Molecular Weight 660.659
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of 4,4?,4??-[(2,4-Diamino-1,3,5-benzenetriyl)tris(azo)]trisbenzenesulfonic acid

SMILES

NC1=C(N=NC2=CC=C(C=C2)S(O)(=O)=O)C(N)=C(C=C1N=NC3=CC=C(C=C3)S(O)(=O)=O)N=NC4=CC=C(C=C4)S(O)(=O)=O

InChI

InChIKey=REBCXGWJUSDORQ-FXBMXYOPSA-N
InChI=1S/C24H20N8O9S3/c25-22-20(30-27-14-1-7-17(8-2-14)42(33,34)35)13-21(31-28-15-3-9-18(10-4-15)43(36,37)38)23(26)24(22)32-29-16-5-11-19(12-6-16)44(39,40)41/h1-13H,25-26H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)/b30-27+,31-28+,32-29+

HIDE SMILES / InChI

Molecular Formula C24H20N8O9S3
Molecular Weight 660.659
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:23:05 GMT 2025
Edited
by admin
on Wed Apr 02 20:23:05 GMT 2025
Record UNII
MVL7GQG5AA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4?,4??-[(2,4-Diamino-1,3,5-benzenetriyl)tris(azo)]trisbenzenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 4,4?,4??-[(2,4-diamino-1,3,5-benzenetriyl)tris(azo)]tris-
Preferred Name English
Benzenesulfonic acid, 4,4?,4??-[(2,4-diamino-s-phenenyl)tris(azo)]tri-
Systematic Name English
Code System Code Type Description
FDA UNII
MVL7GQG5AA
Created by admin on Wed Apr 02 20:23:05 GMT 2025 , Edited by admin on Wed Apr 02 20:23:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID401040172
Created by admin on Wed Apr 02 20:23:05 GMT 2025 , Edited by admin on Wed Apr 02 20:23:05 GMT 2025
PRIMARY
PUBCHEM
87356
Created by admin on Wed Apr 02 20:23:05 GMT 2025 , Edited by admin on Wed Apr 02 20:23:05 GMT 2025
PRIMARY
CAS
17895-45-3
Created by admin on Wed Apr 02 20:23:05 GMT 2025 , Edited by admin on Wed Apr 02 20:23:05 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT