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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7O5S.K
Molecular Weight 242.291
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 5-GUAIACOLSULFONATE

SMILES

[K+].COC1=C(O)C=C(C=C1)S([O-])(=O)=O

InChI

InChIKey=QEAJOOURKCKFSV-UHFFFAOYSA-M
InChI=1S/C7H8O5S.K/c1-12-7-3-2-5(4-6(7)8)13(9,10)11;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1

HIDE SMILES / InChI

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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:53:10 UTC 2023
Edited
by admin
on Sat Dec 16 01:53:10 UTC 2023
Record UNII
5H662IO64G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM 5-GUAIACOLSULFONATE
MI  
Systematic Name English
BENZENESULFONIC ACID, 3-HYDROXY-4-METHOXY-, POTASSIUM SALT (1:1)
Systematic Name English
POTASSIUM 3-HYDROXY-4-METHOXYBENZENESULFONATE
Systematic Name English
3-HYDROXY-4-METHOXYBENZENESULFONATE
Common Name English
POTASSIUM 5-GUAIACOLSULFONATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m9025
Created by admin on Sat Dec 16 01:53:11 UTC 2023 , Edited by admin on Sat Dec 16 01:53:11 UTC 2023
PRIMARY Merck Index
CAS
5011-21-2
Created by admin on Sat Dec 16 01:53:11 UTC 2023 , Edited by admin on Sat Dec 16 01:53:11 UTC 2023
PRIMARY
ECHA (EC/EINECS)
277-890-4
Created by admin on Sat Dec 16 01:53:11 UTC 2023 , Edited by admin on Sat Dec 16 01:53:11 UTC 2023
PRIMARY
PUBCHEM
23662440
Created by admin on Sat Dec 16 01:53:11 UTC 2023 , Edited by admin on Sat Dec 16 01:53:11 UTC 2023
PRIMARY
RXCUI
1370572
Created by admin on Sat Dec 16 01:53:11 UTC 2023 , Edited by admin on Sat Dec 16 01:53:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID50995997
Created by admin on Sat Dec 16 01:53:11 UTC 2023 , Edited by admin on Sat Dec 16 01:53:11 UTC 2023
PRIMARY
FDA UNII
5H662IO64G
Created by admin on Sat Dec 16 01:53:11 UTC 2023 , Edited by admin on Sat Dec 16 01:53:11 UTC 2023
PRIMARY
CAS
74499-12-0
Created by admin on Sat Dec 16 01:53:11 UTC 2023 , Edited by admin on Sat Dec 16 01:53:11 UTC 2023
NON-SPECIFIC SUBSTITUTION
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS