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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10N3O3S.Na
Molecular Weight 299.281
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-(4-aminophenylazo)benzenesulfonate

SMILES

[Na+].NC1=CC=C(C=C1)\N=N\C2=CC=CC(=C2)S([O-])(=O)=O

InChI

InChIKey=LOMIKALXICPUQX-WPDLWGESSA-M
InChI=1S/C12H11N3O3S.Na/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(8-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1/b15-14+;

HIDE SMILES / InChI

Molecular Formula C12H10N3O3S
Molecular Weight 276.291
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:54:22 GMT 2025
Edited
by admin
on Tue Apr 01 17:54:22 GMT 2025
Record UNII
853T8DG4R5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 3-(4-aminophenylazo)benzenesulfonate
Systematic Name English
Benzenesulfonic acid, 3-[(4-aminophenyl)azo]-, sodium salt
Preferred Name English
Benzenesulfonic acid, 3-[2-(4-aminophenyl)diazenyl]-, sodium salt
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID5071252
Created by admin on Tue Apr 01 17:54:22 GMT 2025 , Edited by admin on Tue Apr 01 17:54:22 GMT 2025
PRIMARY
FDA UNII
853T8DG4R5
Created by admin on Tue Apr 01 17:54:22 GMT 2025 , Edited by admin on Tue Apr 01 17:54:22 GMT 2025
PRIMARY
CAS
68214-01-7
Created by admin on Tue Apr 01 17:54:22 GMT 2025 , Edited by admin on Tue Apr 01 17:54:22 GMT 2025
PRIMARY
PUBCHEM
23668671
Created by admin on Tue Apr 01 17:54:22 GMT 2025 , Edited by admin on Tue Apr 01 17:54:22 GMT 2025
PRIMARY
ECHA (EC/EINECS)
269-281-7
Created by admin on Tue Apr 01 17:54:22 GMT 2025 , Edited by admin on Tue Apr 01 17:54:22 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE