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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5O5S.Na
Molecular Weight 224.166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 1,3-benzodioxole-5-sulfonate

SMILES

[Na+].[O-]S(=O)(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=IUCZVTJTCOCKTN-UHFFFAOYSA-M
InChI=1S/C7H6O5S.Na/c8-13(9,10)5-1-2-6-7(3-5)12-4-11-6;/h1-3H,4H2,(H,8,9,10);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C7H5O5S
Molecular Weight 201.177
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 18:26:55 GMT 2025
Edited
by admin
on Tue Apr 01 18:26:55 GMT 2025
Record UNII
ZH55DPR9TL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzodioxole-5-sulfonic acid, sodium salt
Preferred Name English
Sodium 1,3-benzodioxole-5-sulfonate
Systematic Name English
Sodium 1,3-benzodioxole-5-sulphonate
Systematic Name English
1,3-Benzodioxole-5-sulfonic acid, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
23680477
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
CAS
97337-81-0
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
FDA UNII
ZH55DPR9TL
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID70242874
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
306-575-7
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE