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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO6S
Molecular Weight 245.209
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Nitro-4-(methylsulfonyl)benzoic acid

SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(O)=O)[N+]([O-])=O

InChI

InChIKey=QNOUABMNRMROSL-UHFFFAOYSA-N
InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C8H7NO6S
Molecular Weight 245.209
Charge 0
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 Mon Mar 31 23:07:46 GMT 2025
Edited
by admin
on Mon Mar 31 23:07:46 GMT 2025
Record UNII
J4SJH38VPA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Nitro-4-(methylsulfonyl)benzoic acid
Systematic Name English
Benzoic acid, 4-(methylsulfonyl)-2-nitro-
Preferred Name English
4-(Methylsulfonyl)-2-nitrobenzoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
184292
Created by admin on Mon Mar 31 23:07:46 GMT 2025 , Edited by admin on Mon Mar 31 23:07:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID0074639
Created by admin on Mon Mar 31 23:07:46 GMT 2025 , Edited by admin on Mon Mar 31 23:07:46 GMT 2025
PRIMARY
CAS
110964-79-9
Created by admin on Mon Mar 31 23:07:46 GMT 2025 , Edited by admin on Mon Mar 31 23:07:46 GMT 2025
PRIMARY
FDA UNII
J4SJH38VPA
Created by admin on Mon Mar 31 23:07:46 GMT 2025 , Edited by admin on Mon Mar 31 23:07:46 GMT 2025
PRIMARY