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Details

Stereochemistry ACHIRAL
Molecular Formula C12H6Cl2NO6S.Na
Molecular Weight 386.14
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonate

SMILES

[Na+].[O-][N+](=O)C1=CC(Cl)=CC=C1OC2=CC=C(Cl)C=C2S([O-])(=O)=O

InChI

InChIKey=RGFPHNXKJYUZFG-UHFFFAOYSA-M
InChI=1S/C12H7Cl2NO6S.Na/c13-7-1-3-10(9(5-7)15(16)17)21-11-4-2-8(14)6-12(11)22(18,19)20;/h1-6H,(H,18,19,20);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C12H6Cl2NO6S
Molecular Weight 363.15
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
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 Sat Dec 16 12:17:02 GMT 2023
Edited
by admin
on Sat Dec 16 12:17:02 GMT 2023
Record UNII
YTW5UA6WYW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonate
Systematic Name English
Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-, sodium salt (1:1)
Systematic Name English
Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-, sodium salt
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
285-725-2
Created by admin on Sat Dec 16 12:17:02 GMT 2023 , Edited by admin on Sat Dec 16 12:17:02 GMT 2023
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PUBCHEM
3020397
Created by admin on Sat Dec 16 12:17:02 GMT 2023 , Edited by admin on Sat Dec 16 12:17:02 GMT 2023
PRIMARY
CAS
85136-03-4
Created by admin on Sat Dec 16 12:17:02 GMT 2023 , Edited by admin on Sat Dec 16 12:17:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID60234268
Created by admin on Sat Dec 16 12:17:02 GMT 2023 , Edited by admin on Sat Dec 16 12:17:02 GMT 2023
PRIMARY
FDA UNII
YTW5UA6WYW
Created by admin on Sat Dec 16 12:17:02 GMT 2023 , Edited by admin on Sat Dec 16 12:17:02 GMT 2023
PRIMARY