U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7O5S.Na
Molecular Weight 238.193
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 5-formyl-2-methoxybenzenesulfonate

SMILES

[Na+].COC1=C(C=C(C=O)C=C1)S([O-])(=O)=O

InChI

InChIKey=MGJFLYWFXJHHSI-UHFFFAOYSA-M
InChI=1S/C8H8O5S.Na/c1-13-7-3-2-6(5-9)4-8(7)14(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-4743
Preferred Name English
Sodium 5-formyl-2-methoxybenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 5-formyl-2-methoxy-, sodium salt
Systematic Name English
Code System Code Type Description
CAS
5393-59-9
Created by admin on Tue Apr 01 17:41:34 GMT 2025 , Edited by admin on Tue Apr 01 17:41:34 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-400-7
Created by admin on Tue Apr 01 17:41:34 GMT 2025 , Edited by admin on Tue Apr 01 17:41:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID9063829
Created by admin on Tue Apr 01 17:41:34 GMT 2025 , Edited by admin on Tue Apr 01 17:41:34 GMT 2025
PRIMARY
PUBCHEM
3521053
Created by admin on Tue Apr 01 17:41:34 GMT 2025 , Edited by admin on Tue Apr 01 17:41:34 GMT 2025
PRIMARY
NSC
4743
Created by admin on Tue Apr 01 17:41:34 GMT 2025 , Edited by admin on Tue Apr 01 17:41:34 GMT 2025
PRIMARY
FDA UNII
79R2T7Q4KN
Created by admin on Tue Apr 01 17:41:34 GMT 2025 , Edited by admin on Tue Apr 01 17:41:34 GMT 2025
PRIMARY