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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H2ClN2O7S.K
Molecular Weight 320.706
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 4-CHLORO-3,5-DINITROBENZENESULFONATE

SMILES

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

InChI

InChIKey=SOKIKHRZBYSIFN-UHFFFAOYSA-M
InChI=1S/C6H3ClN2O7S.K/c7-6-4(8(10)11)1-3(17(14,15)16)2-5(6)9(12)13;/h1-2H,(H,14,15,16);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H2ClN2O7S
Molecular Weight 281.607
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 08:29:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:37 GMT 2023
Record UNII
666M07694U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM 4-CHLORO-3,5-DINITROBENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, 4-CHLORO-3,5-DINITRO-, POTASSIUM SALT
Common Name English
NSC-123956
Code English
4-CHLORO-3,5-DINITROBENZENESULFONIC ACID POTASSIUM SALT
Systematic Name English
BENZENESULFONIC ACID, 4-CHLORO-3,5-DINITRO-, POTASSIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
3036952
Created by admin on Sat Dec 16 08:29:37 GMT 2023 , Edited by admin on Sat Dec 16 08:29:37 GMT 2023
PRIMARY
CAS
38185-06-7
Created by admin on Sat Dec 16 08:29:37 GMT 2023 , Edited by admin on Sat Dec 16 08:29:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-816-6
Created by admin on Sat Dec 16 08:29:37 GMT 2023 , Edited by admin on Sat Dec 16 08:29:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID8028002
Created by admin on Sat Dec 16 08:29:37 GMT 2023 , Edited by admin on Sat Dec 16 08:29:37 GMT 2023
PRIMARY
NSC
123956
Created by admin on Sat Dec 16 08:29:37 GMT 2023 , Edited by admin on Sat Dec 16 08:29:37 GMT 2023
PRIMARY
FDA UNII
666M07694U
Created by admin on Sat Dec 16 08:29:37 GMT 2023 , Edited by admin on Sat Dec 16 08:29:37 GMT 2023
PRIMARY