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Details

Stereochemistry ACHIRAL
Molecular Formula C13H9NO6S
Molecular Weight 307.279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((3-(HYDROXY(OXIDO)AMINO)PHENYL)SULFONYL)BENZOIC ACID

SMILES

OC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)[N+]([O-])=O

InChI

InChIKey=ODTKWYKXWAPCOC-UHFFFAOYSA-N
InChI=1S/C13H9NO6S/c15-13(16)9-4-6-11(7-5-9)21(19,20)12-3-1-2-10(8-12)14(17)18/h1-8H,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H9NO6S
Molecular Weight 307.279
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 Tue Apr 01 20:39:15 GMT 2025
Edited
by admin
on Tue Apr 01 20:39:15 GMT 2025
Record UNII
RX4R2PBB62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((3-(HYDROXY(OXIDO)AMINO)PHENYL)SULFONYL)BENZOIC ACID
Systematic Name English
NSC-400316
Preferred Name English
Benzoic acid, 4-[(3-nitrophenyl)sulfonyl]-
Systematic Name English
Benzoic acid, p-[(m-nitrophenyl)sulfonyl]-
Systematic Name English
4--benzoesaeure
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20995323
Created by admin on Tue Apr 01 20:39:15 GMT 2025 , Edited by admin on Tue Apr 01 20:39:15 GMT 2025
PRIMARY
PUBCHEM
343809
Created by admin on Tue Apr 01 20:39:15 GMT 2025 , Edited by admin on Tue Apr 01 20:39:15 GMT 2025
PRIMARY
FDA UNII
RX4R2PBB62
Created by admin on Tue Apr 01 20:39:15 GMT 2025 , Edited by admin on Tue Apr 01 20:39:15 GMT 2025
PRIMARY
CAS
7402-74-6
Created by admin on Tue Apr 01 20:39:15 GMT 2025 , Edited by admin on Tue Apr 01 20:39:15 GMT 2025
PRIMARY
NSC
400316
Created by admin on Tue Apr 01 20:39:15 GMT 2025 , Edited by admin on Tue Apr 01 20:39:15 GMT 2025
PRIMARY