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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClO4S.Na
Molecular Weight 242.612
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 2-chloro-5-formylbenzenesulfonate

SMILES

[Na+].[O-]S(=O)(=O)C1=CC(C=O)=CC=C1Cl

InChI

InChIKey=NHFHWFDCYQTTFV-UHFFFAOYSA-M
InChI=1S/C7H5ClO4S.Na/c8-6-2-1-5(4-9)3-7(6)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H4ClO4S
Molecular Weight 219.622
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 Sat Dec 16 12:17:05 GMT 2023
Edited
by admin
on Sat Dec 16 12:17:05 GMT 2023
Record UNII
TBY6RLE6MQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 2-chloro-5-formylbenzenesulfonate
Systematic Name English
Benzenesulfonic acid, 2-chloro-5-formyl-, sodium salt
Common Name English
Benzenesulfonic acid, 2-chloro-5-formyl-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
TBY6RLE6MQ
Created by admin on Sat Dec 16 12:17:05 GMT 2023 , Edited by admin on Sat Dec 16 12:17:05 GMT 2023
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PUBCHEM
23684562
Created by admin on Sat Dec 16 12:17:05 GMT 2023 , Edited by admin on Sat Dec 16 12:17:05 GMT 2023
PRIMARY
CAS
40566-58-3
Created by admin on Sat Dec 16 12:17:05 GMT 2023 , Edited by admin on Sat Dec 16 12:17:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-977-5
Created by admin on Sat Dec 16 12:17:05 GMT 2023 , Edited by admin on Sat Dec 16 12:17:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID80193580
Created by admin on Sat Dec 16 12:17:05 GMT 2023 , Edited by admin on Sat Dec 16 12:17:05 GMT 2023
PRIMARY