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Details

Stereochemistry ACHIRAL
Molecular Formula C6H3ClNO6S.Na
Molecular Weight 275.599
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-chloro-4-hydroxy-5-nitrobenzenesulfonate

SMILES

[Na+].OC1=C(C=C(C=C1Cl)S([O-])(=O)=O)[N+]([O-])=O

InChI

InChIKey=OEIOYFYIPDKOAV-UHFFFAOYSA-M
InChI=1S/C6H4ClNO6S.Na/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11;/h1-2,9H,(H,12,13,14);/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 C6H3ClNO6S
Molecular Weight 252.609
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 19:25:25 GMT 2025
Edited
by admin
on Tue Apr 01 19:25:25 GMT 2025
Record UNII
2Y6J2A426D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 3-chloro-4-hydroxy-5-nitrobenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 3-chloro-4-hydroxy-5-nitro-, monosodium salt
Preferred Name English
Benzenesulfonic acid, 3-chloro-4-hydroxy-5-nitro-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20240082
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
PRIMARY
FDA UNII
2Y6J2A426D
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
PRIMARY
PUBCHEM
3023159
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
PRIMARY
ECHA (EC/EINECS)
301-112-5
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
PRIMARY
CAS
93981-28-3
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE