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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 4-chloro-3-nitrobenzenesulfonate

SMILES

[Na+].[O-][N+](=O)C1=CC(=CC=C1Cl)S([O-])(=O)=O

InChI

InChIKey=POUGKTDTYSAMAT-UHFFFAOYSA-M
InChI=1S/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BENZENESULFONIC ACID, 4-CHLORO-3-NITRO-, SODIUM SALT
Preferred Name English
Sodium 4-chloro-3-nitrobenzenesulfonate
Systematic Name English
Sodium 1-chloro-2-nitrobenzene-4-sulfonate
Systematic Name English
Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
241-680-0
Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025
PRIMARY
FDA UNII
4ZNE7E5C39
Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025
PRIMARY
PUBCHEM
87246
Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID5066245
Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025
PRIMARY
CAS
17691-19-9
Created by admin on Tue Apr 01 20:17:17 GMT 2025 , Edited by admin on Tue Apr 01 20:17:17 GMT 2025
PRIMARY
NIH
NCATS
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