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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H7O4S.Ca
Molecular Weight 414.464
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM 2-HYDROXY-5-METHYLBENZENESULFONATE

SMILES

[Ca++].CC1=CC(=C(O)C=C1)S([O-])(=O)=O.CC2=CC(=C(O)C=C2)S([O-])(=O)=O

InChI

InChIKey=UTSQSQHVZSNYQG-UHFFFAOYSA-L
InChI=1S/2C7H8O4S.Ca/c2*1-5-2-3-6(8)7(4-5)12(9,10)11;/h2*2-4,8H,1H3,(H,9,10,11);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C7H7O4S
Molecular Weight 187.193
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 Sat Dec 16 10:20:49 GMT 2023
Edited
by admin
on Sat Dec 16 10:20:49 GMT 2023
Record UNII
0H9A4ENY25
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM 2-HYDROXY-5-METHYLBENZENESULFONATE
Systematic Name English
CALCIUM P-CRESOL-2-SULFONATE
Common Name English
BENZENESULFONIC ACID, 2-HYDROXY-5-METHYL-, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
92135710
Created by admin on Sat Dec 16 10:20:49 GMT 2023 , Edited by admin on Sat Dec 16 10:20:49 GMT 2023
PRIMARY
FDA UNII
0H9A4ENY25
Created by admin on Sat Dec 16 10:20:49 GMT 2023 , Edited by admin on Sat Dec 16 10:20:49 GMT 2023
PRIMARY