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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-4-METHYLBENZENESULFONATE

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
CALCIUM 2-HYDROXY-4-METHYLBENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, 2-HYDROXY-4-METHYL-, CALCIUM SALT (2:1)
Systematic Name English
CALCIUM M-CRESOL-6-SULFONATE
Systematic Name English
Code System Code Type Description
FDA UNII
7YF71Y10H8
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
PUBCHEM
92135711
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