POTASSIUM 5-GUAIACOLSULFONATE

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NCATS

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

Structure Search

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 `Mon Mar 31 21:02:43 GMT 2025` Edited by `admin` on `Mon Mar 31 21:02:43 GMT 2025`
Record UNII	5H662IO64G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-4-METHOXYBENZENESULFONATE

Preferred Name

English

POTASSIUM 5-GUAIACOLSULFONATE

Systematic Name

English

BENZENESULFONIC ACID, 3-HYDROXY-4-METHOXY-, POTASSIUM SALT (1:1)

Systematic Name

English

POTASSIUM 3-HYDROXY-4-METHOXYBENZENESULFONATE

Systematic Name

English

POTASSIUM 5-GUAIACOLSULFONATE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m9025

Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025

PRIMARY

Merck Index

CAS

5011-21-2

Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025

PRIMARY

ECHA (EC/EINECS)

277-890-4

Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025

PRIMARY

PUBCHEM

23662440

Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025

PRIMARY

RXCUI

1370572

Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025

PRIMARY

EPA CompTox

DTXSID50995997

Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025

PRIMARY

FDA UNII

5H662IO64G

Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025

PRIMARY

CAS

74499-12-0

Created by admin on Mon Mar 31 21:02:43 GMT 2025 , Edited by admin on Mon Mar 31 21:02:43 GMT 2025

NON-SPECIFIC SUBSTITUTION

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SOLVATE->ANHYDROUS