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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5ClNO3S.Na
Molecular Weight 229.617
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 2-amino-5-chlorobenzenesulfonate

SMILES

[Na+].NC1=C(C=C(Cl)C=C1)S([O-])(=O)=O

InChI

InChIKey=YLAXWZLLLKPTRC-UHFFFAOYSA-M
InChI=1S/C6H6ClNO3S.Na/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3H,8H2,(H,9,10,11);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C6H5ClNO3S
Molecular Weight 206.627
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 20:22:35 GMT 2023
Edited
by admin
on Sat Dec 16 20:22:35 GMT 2023
Record UNII
S4X4UG6XZ9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 2-amino-5-chlorobenzenesulfonate
Systematic Name English
Sodium 2-amino-5-chlorobenzenesulphonate
Systematic Name English
Benzenesulfonic acid, 2-amino-5-chloro-, sodium salt
Common Name English
Benzenesulfonic acid, 2-amino-5-chloro-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
S4X4UG6XZ9
Created by admin on Sat Dec 16 20:22:36 GMT 2023 , Edited by admin on Sat Dec 16 20:22:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-704-0
Created by admin on Sat Dec 16 20:22:36 GMT 2023 , Edited by admin on Sat Dec 16 20:22:36 GMT 2023
PRIMARY
PUBCHEM
23684601
Created by admin on Sat Dec 16 20:22:36 GMT 2023 , Edited by admin on Sat Dec 16 20:22:36 GMT 2023
PRIMARY
CAS
53685-26-0
Created by admin on Sat Dec 16 20:22:36 GMT 2023 , Edited by admin on Sat Dec 16 20:22:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID00201939
Created by admin on Sat Dec 16 20:22:36 GMT 2023 , Edited by admin on Sat Dec 16 20:22:36 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE