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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5O2.Ba
Molecular Weight 379.554
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARIUM BENZOATE

SMILES

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

InChI

InChIKey=MJIAXOYYJWECDI-UHFFFAOYSA-L
InChI=1S/2C7H6O2.Ba/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Ba
Molecular Weight 137.327
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H5O2
Molecular Weight 121.1134
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 21:59:13 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:13 GMT 2025
Record UNII
923N33416I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BARIUM BENZOATE
Systematic Name English
BENZOIC ACID, BARIUM SALT (2:1)
Preferred Name English
BENZOIC ACID, BARIUM SALT
Systematic Name English
BARIUM DIBENZOATE
Systematic Name English
Code System Code Type Description
FDA UNII
923N33416I
Created by admin on Mon Mar 31 21:59:13 GMT 2025 , Edited by admin on Mon Mar 31 21:59:13 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-551-0
Created by admin on Mon Mar 31 21:59:13 GMT 2025 , Edited by admin on Mon Mar 31 21:59:13 GMT 2025
PRIMARY
CAS
533-00-6
Created by admin on Mon Mar 31 21:59:13 GMT 2025 , Edited by admin on Mon Mar 31 21:59:13 GMT 2025
PRIMARY
PUBCHEM
160513
Created by admin on Mon Mar 31 21:59:13 GMT 2025 , Edited by admin on Mon Mar 31 21:59:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID60890500
Created by admin on Mon Mar 31 21:59:13 GMT 2025 , Edited by admin on Mon Mar 31 21:59:13 GMT 2025
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS