U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H2Cl3O3S.Na
Molecular Weight 283.492
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2,4,5-TRICHLOROBENZENESULFONATE

SMILES

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

InChI

InChIKey=OMVLAGBUFPUMGQ-UHFFFAOYSA-M
InChI=1S/C6H3Cl3O3S.Na/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;/h1-2H,(H,10,11,12);/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 C6H2Cl3O3S
Molecular Weight 260.502
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:05:36 GMT 2023
Edited
by admin
on Sat Dec 16 09:05:36 GMT 2023
Record UNII
03L79ZAG92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2,4,5-TRICHLOROBENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, 2,4,5-TRICHLORO-, SODIUM SALT (1:1)
Systematic Name English
BENZENESULFONIC ACID, 2,4,5-TRICHLORO-, SODIUM SALT
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
258-548-3
Created by admin on Sat Dec 16 09:05:36 GMT 2023 , Edited by admin on Sat Dec 16 09:05:36 GMT 2023
PRIMARY
CAS
53423-65-7
Created by admin on Sat Dec 16 09:05:36 GMT 2023 , Edited by admin on Sat Dec 16 09:05:36 GMT 2023
PRIMARY
FDA UNII
03L79ZAG92
Created by admin on Sat Dec 16 09:05:36 GMT 2023 , Edited by admin on Sat Dec 16 09:05:36 GMT 2023
PRIMARY
PUBCHEM
23673597
Created by admin on Sat Dec 16 09:05:36 GMT 2023 , Edited by admin on Sat Dec 16 09:05:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID9044952
Created by admin on Sat Dec 16 09:05:36 GMT 2023 , Edited by admin on Sat Dec 16 09:05:36 GMT 2023
PRIMARY