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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClNO7S
Molecular Weight 281.627
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-3-nitro-5-sulfobenzoic acid

SMILES

OC(=O)C1=CC(=C(Cl)C(=C1)[N+]([O-])=O)S(O)(=O)=O

InChI

InChIKey=KYAQAYJIAPXFLP-UHFFFAOYSA-N
InChI=1S/C7H4ClNO7S/c8-6-4(9(12)13)1-3(7(10)11)2-5(6)17(14,15)16/h1-2H,(H,10,11)(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C7H4ClNO7S
Molecular Weight 281.627
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 Wed Apr 02 19:40:35 GMT 2025
Edited
by admin
on Wed Apr 02 19:40:35 GMT 2025
Record UNII
68KQG7U7GS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 4-chloro-3-nitro-5-sulfo-
Preferred Name English
4-Chloro-3-nitro-5-sulfobenzoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
53484273
Created by admin on Wed Apr 02 19:40:35 GMT 2025 , Edited by admin on Wed Apr 02 19:40:35 GMT 2025
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FDA UNII
68KQG7U7GS
Created by admin on Wed Apr 02 19:40:35 GMT 2025 , Edited by admin on Wed Apr 02 19:40:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID40703902
Created by admin on Wed Apr 02 19:40:35 GMT 2025 , Edited by admin on Wed Apr 02 19:40:35 GMT 2025
PRIMARY
CAS
130262-91-8
Created by admin on Wed Apr 02 19:40:35 GMT 2025 , Edited by admin on Wed Apr 02 19:40:35 GMT 2025
PRIMARY