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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11NO6S
Molecular Weight 309.295
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-METHYLPHENOXY)-5-NITROBENZENESULFONIC ACID

SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2S(O)(=O)=O)[N+]([O-])=O

InChI

InChIKey=FIBJEQINQFELMJ-UHFFFAOYSA-N
InChI=1S/C13H11NO6S/c1-9-4-2-3-5-11(9)20-12-7-6-10(14(15)16)8-13(12)21(17,18)19/h2-8H,1H3,(H,17,18,19)

HIDE SMILES / InChI

Molecular Formula C13H11NO6S
Molecular Weight 309.295
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 17:36:43 GMT 2025
Edited
by admin
on Tue Apr 01 17:36:43 GMT 2025
Record UNII
2X9XP38FEY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-METHYLPHENOXY)-5-NITROBENZENESULFONIC ACID
Systematic Name English
2-(2-METHYLPHENOXY)-5-NITROBENZENESULPHONIC ACID
Preferred Name English
BENZENESULFONIC ACID, 2-(2-METHYLPHENOXY)-5-NITRO-
Systematic Name English
BENZENESULPHONIC ACID, 2-(2-METHYLPHENOXY)-5-NITRO-
Systematic Name English
Code System Code Type Description
FDA UNII
2X9XP38FEY
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY
PUBCHEM
3022811
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY
ECHA (EC/EINECS)
299-647-1
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY
CAS
93893-57-3
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID80239851
Created by admin on Tue Apr 01 17:36:43 GMT 2025 , Edited by admin on Tue Apr 01 17:36:43 GMT 2025
PRIMARY