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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4NO6S.Na
Molecular Weight 241.154
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 4-HYDROXY-3-NITROBENZENESULFONATE

SMILES

[Na+].OC1=C(C=C(C=C1)S([O-])(=O)=O)[N+]([O-])=O

InChI

InChIKey=CKYLHMGDNIAAPE-UHFFFAOYSA-M
InChI=1S/C6H5NO6S.Na/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3,8H,(H,11,12,13);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C6H4NO6S
Molecular Weight 218.164
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 22:59:30 GMT 2025
Edited
by admin
on Mon Mar 31 22:59:30 GMT 2025
Record UNII
14GO0B5Z6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-39865
Preferred Name English
SODIUM 4-HYDROXY-3-NITROBENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, 4-HYDROXY-3-NITRO-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
NSC
39865
Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025
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EPA CompTox
DTXSID80276281
Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025
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CAS
6313-34-4
Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025
PRIMARY
PUBCHEM
12598197
Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025
PRIMARY
FDA UNII
14GO0B5Z6U
Created by admin on Mon Mar 31 22:59:30 GMT 2025 , Edited by admin on Mon Mar 31 22:59:30 GMT 2025
PRIMARY