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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5ClNO5S.Na
Molecular Weight 273.626
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 6-chloro-5-nitrotoluene-3-sulfonate

SMILES

[Na+].CC1=CC(=CC(=C1Cl)[N+]([O-])=O)S([O-])(=O)=O

InChI

InChIKey=WUQOYVBOBYHOCT-UHFFFAOYSA-M
InChI=1S/C7H6ClNO5S.Na/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11;/h2-3H,1H3,(H,12,13,14);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Sodium 6-chloro-5-nitrotoluene-3-sulfonate [MI]
Preferred Name English
Sodium 6-chloro-5-nitrotoluene-3-sulfonate
MI  
Systematic Name English
Benzenesulfonic acid, 4-chloro-3-methyl-5-nitro-, sodium salt (1:1)
Systematic Name English
NSC-60113
Code English
m-Toluenesulfonic acid, 4-chloro-5-nitro-, sodium salt
Systematic Name English
Benzenesulfonic acid, 4-chloro-3-methyl-5-nitro-, sodium salt
Systematic Name English
Code System Code Type Description
FDA UNII
48J0DG0U8Q
Created by admin on Mon Mar 31 23:26:03 GMT 2025 , Edited by admin on Mon Mar 31 23:26:03 GMT 2025
PRIMARY
NSC
60113
Created by admin on Mon Mar 31 23:26:03 GMT 2025 , Edited by admin on Mon Mar 31 23:26:03 GMT 2025
PRIMARY
MERCK INDEX
m931
Created by admin on Mon Mar 31 23:26:03 GMT 2025 , Edited by admin on Mon Mar 31 23:26:03 GMT 2025
PRIMARY Merck Index
PUBCHEM
21114749
Created by admin on Mon Mar 31 23:26:03 GMT 2025 , Edited by admin on Mon Mar 31 23:26:03 GMT 2025
PRIMARY
CAS
535-48-8
Created by admin on Mon Mar 31 23:26:03 GMT 2025 , Edited by admin on Mon Mar 31 23:26:03 GMT 2025
PRIMARY
NIH
NCATS
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