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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H5N2O5S.Na
Molecular Weight 240.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 2-Amino-5-nitrobenzenesulfonate

SMILES

[Na+].NC1=CC=C(C=C1S([O-])(=O)=O)[N+]([O-])=O

InChI

InChIKey=VTMRGLXTSDVXAE-UHFFFAOYSA-M
InChI=1S/C6H6N2O5S.Na/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,7H2,(H,11,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C6H5N2O5S
Molecular Weight 217.179
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
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 Mon Mar 31 23:07:45 GMT 2025
Edited
by admin
on Mon Mar 31 23:07:45 GMT 2025
Record UNII
QJH6826EZP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 2-Amino-5-nitrobenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 2-amino-5-nitro-, sodium salt
Preferred Name English
Code System Code Type Description
FDA UNII
QJH6826EZP
Created by admin on Mon Mar 31 23:07:45 GMT 2025 , Edited by admin on Mon Mar 31 23:07:45 GMT 2025
PRIMARY
PUBCHEM
121742
Created by admin on Mon Mar 31 23:07:45 GMT 2025 , Edited by admin on Mon Mar 31 23:07:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID4067567
Created by admin on Mon Mar 31 23:07:45 GMT 2025 , Edited by admin on Mon Mar 31 23:07:45 GMT 2025
PRIMARY
CAS
30693-53-9
Created by admin on Mon Mar 31 23:07:45 GMT 2025 , Edited by admin on Mon Mar 31 23:07:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
250-299-9
Created by admin on Mon Mar 31 23:07:45 GMT 2025 , Edited by admin on Mon Mar 31 23:07:45 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE