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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H7O5S.2K.H2O
Molecular Weight 502.597
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 5-GUAIACOLSULFONATE HEMIHYDRATE

SMILES

O.[K+].[K+].COC1=CC=C(C=C1O)S([O-])(=O)=O.COC2=CC=C(C=C2O)S([O-])(=O)=O

InChI

InChIKey=MEVSLGDSKSTXNG-UHFFFAOYSA-L
InChI=1S/2C7H8O5S.2K.H2O/c2*1-12-7-3-2-5(4-6(7)8)13(9,10)11;;;/h2*2-4,8H,1H3,(H,9,10,11);;;1H2/q;;2*+1;/p-2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 C7H7O5S
Molecular Weight 203.192
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 Fri Dec 15 16:23:26 UTC 2023
Edited
by admin
on Fri Dec 15 16:23:26 UTC 2023
Record UNII
H9906938MB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM 5-GUAIACOLSULFONATE HEMIHYDRATE
Common Name English
POTASSIUM 3-HYDROXY-4-METHOXYBENZENESULFONATE HEMIHYDRATE
Common Name English
MONOPOTASSIUM 3-HYDROXY-4-METHOXYBENZENESULPHONATE HEMIHYDRATE
Common Name English
MONOPOTASSIUM 3-HYDROXY-4-METHOXYBENZENESULFONATE HEMIHYDRATE
Common Name English
3-HYDROXY-4-METHOXYBENZENESULFONIC ACID MONOPOTASSIUM SALT HEMIHYDRATE
Common Name English
Code System Code Type Description
PUBCHEM
73416546
Created by admin on Fri Dec 15 16:23:26 UTC 2023 , Edited by admin on Fri Dec 15 16:23:26 UTC 2023
PRIMARY
FDA UNII
H9906938MB
Created by admin on Fri Dec 15 16:23:26 UTC 2023 , Edited by admin on Fri Dec 15 16:23:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE