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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

Molecular Formula C8H7O5S
Molecular Weight 215.203
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
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 17:41:34 GMT 2025
Edited
by admin
on Tue Apr 01 17:41:34 GMT 2025
Record UNII
79R2T7Q4KN
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
PARENT -> SALT/SOLVATE