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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO5S
Molecular Weight 217.199
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-nitrobenzenesulfonate

SMILES

COS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O

InChI

InChIKey=BRRWEJXLJPHMBE-UHFFFAOYSA-N
InChI=1S/C7H7NO5S/c1-13-14(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 2-nitrobenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 2-nitro-, methyl ester
Preferred Name English
Methyl o-nitrobenzenesulfonate
Systematic Name English
Code System Code Type Description
FDA UNII
57DX2XHG3L
Created by admin on Wed Apr 02 19:55:20 GMT 2025 , Edited by admin on Wed Apr 02 19:55:20 GMT 2025
PRIMARY
PUBCHEM
169151
Created by admin on Wed Apr 02 19:55:20 GMT 2025 , Edited by admin on Wed Apr 02 19:55:20 GMT 2025
PRIMARY
CAS
30384-53-3
Created by admin on Wed Apr 02 19:55:20 GMT 2025 , Edited by admin on Wed Apr 02 19:55:20 GMT 2025
PRIMARY
NIH
NCATS
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