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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9O5S2.K
Molecular Weight 336.425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=HGJYOHAIVZXUML-UHFFFAOYSA-M
InChI=1S/C12H10O5S2.K/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 K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:33:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:44 GMT 2023
Record UNII
YW52U3T4UP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Potassium 3-(phenylsulfonyl)benzenesulfonate
Systematic Name English
Benzenesulfonic acid, 3-(phenylsulfonyl)-, potassium salt (1:1)
Systematic Name English
Benzenesulfonic acid, 3-(phenylsulfonyl)-, potassium salt
Common Name English
Code System Code Type Description
FDA UNII
YW52U3T4UP
Created by admin on Sat Dec 16 12:33:44 GMT 2023 , Edited by admin on Sat Dec 16 12:33:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
264-097-3
Created by admin on Sat Dec 16 12:33:44 GMT 2023 , Edited by admin on Sat Dec 16 12:33:44 GMT 2023
PRIMARY
PUBCHEM
23686562
Created by admin on Sat Dec 16 12:33:44 GMT 2023 , Edited by admin on Sat Dec 16 12:33:44 GMT 2023
PRIMARY
CAS
63316-43-8
Created by admin on Sat Dec 16 12:33:44 GMT 2023 , Edited by admin on Sat Dec 16 12:33:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID30872797
Created by admin on Sat Dec 16 12:33:44 GMT 2023 , Edited by admin on Sat Dec 16 12:33:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE