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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H7O5S.Ca
Molecular Weight 446.463
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM 5-GUAIACOLSULFONATE

SMILES

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

InChI

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

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 Ca
Molecular Weight 40.078
Charge 2
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 15:52:26 GMT 2023
Edited
by admin
on Fri Dec 15 15:52:26 GMT 2023
Record UNII
9TQ21UB1RS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM 5-GUAIACOLSULFONATE
Systematic Name English
BENZENESULFONIC ACID, 3-HYDROXY-4-METHOXY-, CALCIUM SALT (2:1)
Common Name English
Code System Code Type Description
PUBCHEM
24180
Created by admin on Fri Dec 15 15:52:26 GMT 2023 , Edited by admin on Fri Dec 15 15:52:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-429-3
Created by admin on Fri Dec 15 15:52:26 GMT 2023 , Edited by admin on Fri Dec 15 15:52:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID10226390
Created by admin on Fri Dec 15 15:52:26 GMT 2023 , Edited by admin on Fri Dec 15 15:52:26 GMT 2023
PRIMARY
CAS
7546-27-2
Created by admin on Fri Dec 15 15:52:26 GMT 2023 , Edited by admin on Fri Dec 15 15:52:26 GMT 2023
PRIMARY
FDA UNII
9TQ21UB1RS
Created by admin on Fri Dec 15 15:52:26 GMT 2023 , Edited by admin on Fri Dec 15 15:52:26 GMT 2023
PRIMARY