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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12ClNO5S
Molecular Weight 341.767
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(PHENOXYCARBONYLAMINO)-5-CHLORO-4-METHYLBENZENESULFONIC ACID

SMILES

CC1=C(NC(=O)OC2=CC=CC=C2)C=C(C=C1Cl)S(O)(=O)=O

InChI

InChIKey=HHQGMBXHNRRNLX-UHFFFAOYSA-N
InChI=1S/C14H12ClNO5S/c1-9-12(15)7-11(22(18,19)20)8-13(9)16-14(17)21-10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C14H12ClNO5S
Molecular Weight 341.767
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 10:14:52 GMT 2025
Edited
by admin
on Wed Apr 02 10:14:52 GMT 2025
Record UNII
K9N5H54UAF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(PHENOXYCARBONYLAMINO)-5-CHLORO-4-METHYLBENZENESULFONIC ACID
Systematic Name English
BENZENESULFONIC ACID, 3-CHLORO-4-METHYL-5-((PHENOXYCARBONYL)AMINO)-
Preferred Name English
Code System Code Type Description
FDA UNII
K9N5H54UAF
Created by admin on Wed Apr 02 10:14:52 GMT 2025 , Edited by admin on Wed Apr 02 10:14:52 GMT 2025
PRIMARY
CAS
2052969-21-6
Created by admin on Wed Apr 02 10:14:52 GMT 2025 , Edited by admin on Wed Apr 02 10:14:52 GMT 2025
PRIMARY
PUBCHEM
134358194
Created by admin on Wed Apr 02 10:14:52 GMT 2025 , Edited by admin on Wed Apr 02 10:14:52 GMT 2025
PRIMARY
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