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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9O5S2.Na
Molecular Weight 320.317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-(phenylsulfonyl)benzenesulfonate

SMILES

[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChIKey=AOHSPBYZNKDLIV-UHFFFAOYSA-M
InChI=1S/C12H10O5S2.Na/c13-18(14,10-5-2-1-3-6-10)11-7-4-8-12(9-11)19(15,16)17;/h1-9H,(H,15,16,17);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C12H9O5S2
Molecular Weight 297.327
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
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 13:12:20 GMT 2023
Edited
by admin
on Sat Dec 16 13:12:20 GMT 2023
Record UNII
Y5T77A3GEH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 3-(phenylsulfonyl)benzenesulfonate
Systematic Name English
Benzenesulfonic acid, 3-(phenylsulfonyl)-, sodium salt (1:1)
Systematic Name English
Benzenesulfonic acid, 3-(phenylsulfonyl)-, sodium salt
Common Name English
Sodium 3-phenylsulphonylbenzenesulfonate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
254-543-5
Created by admin on Sat Dec 16 13:12:20 GMT 2023 , Edited by admin on Sat Dec 16 13:12:20 GMT 2023
PRIMARY
FDA UNII
Y5T77A3GEH
Created by admin on Sat Dec 16 13:12:20 GMT 2023 , Edited by admin on Sat Dec 16 13:12:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID70192724
Created by admin on Sat Dec 16 13:12:20 GMT 2023 , Edited by admin on Sat Dec 16 13:12:20 GMT 2023
PRIMARY
PUBCHEM
23663690
Created by admin on Sat Dec 16 13:12:20 GMT 2023 , Edited by admin on Sat Dec 16 13:12:20 GMT 2023
PRIMARY
CAS
39616-92-7
Created by admin on Sat Dec 16 13:12:20 GMT 2023 , Edited by admin on Sat Dec 16 13:12:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE