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Details

Stereochemistry ACHIRAL
Molecular Formula 2C8H7O3.Ca
Molecular Weight 342.357
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM METHYLPARABEN

SMILES

[Ca++].COC(=O)C1=CC=C([O-])C=C1.COC(=O)C2=CC=C([O-])C=C2

InChI

InChIKey=ALNLFGOPMOOIRQ-UHFFFAOYSA-L
InChI=1S/2C8H8O3.Ca/c2*1-11-8(10)6-2-4-7(9)5-3-6;/h2*2-5,9H,1H3;/q;;+2/p-2

HIDE SMILES / InChI

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

Molecular Formula C8H7O3
Molecular Weight 151.1394
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 08:50:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:50:09 GMT 2023
Record UNII
512G4LZ98T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM METHYLPARABEN
Common Name English
BENZOIC ACID, 4-HYDROXY-, METHYL ESTER, CALCIUM SALT (2:1)
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 61208
Created by admin on Sat Dec 16 08:50:09 GMT 2023 , Edited by admin on Sat Dec 16 08:50:09 GMT 2023
Code System Code Type Description
PUBCHEM
67543819
Created by admin on Sat Dec 16 08:50:09 GMT 2023 , Edited by admin on Sat Dec 16 08:50:09 GMT 2023
PRIMARY
FDA UNII
512G4LZ98T
Created by admin on Sat Dec 16 08:50:09 GMT 2023 , Edited by admin on Sat Dec 16 08:50:09 GMT 2023
PRIMARY