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Details

Stereochemistry ACHIRAL
Molecular Formula C6H3ClNO5S.Na
Molecular Weight 259.599
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=OUERFXCJVYJQJO-UHFFFAOYSA-M
InChI=1S/C6H4ClNO5S.Na/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,(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 C6H3ClNO5S
Molecular Weight 236.61
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 19:16:05 GMT 2025
Edited
by admin
on Tue Apr 01 19:16:05 GMT 2025
Record UNII
7XZ7SMC9AJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 2-chloro-5-nitrobenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt
Preferred Name English
Code System Code Type Description
FDA UNII
7XZ7SMC9AJ
Created by admin on Tue Apr 01 19:16:05 GMT 2025 , Edited by admin on Tue Apr 01 19:16:05 GMT 2025
PRIMARY
CAS
946-30-5
Created by admin on Tue Apr 01 19:16:05 GMT 2025 , Edited by admin on Tue Apr 01 19:16:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
213-418-5
Created by admin on Tue Apr 01 19:16:05 GMT 2025 , Edited by admin on Tue Apr 01 19:16:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID4061339
Created by admin on Tue Apr 01 19:16:05 GMT 2025 , Edited by admin on Tue Apr 01 19:16:05 GMT 2025
PRIMARY
PUBCHEM
70350
Created by admin on Tue Apr 01 19:16:05 GMT 2025 , Edited by admin on Tue Apr 01 19:16:05 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE