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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 Sat Dec 16 08:17:59 GMT 2023
Edited
by admin
on Sat Dec 16 08:17:59 GMT 2023
Record UNII
923N33416I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BARIUM BENZOATE
Systematic Name English
BENZOIC ACID, BARIUM SALT
Systematic Name English
BENZOIC ACID, BARIUM SALT (2:1)
Common Name English
BARIUM DIBENZOATE
Systematic Name English
Code System Code Type Description
FDA UNII
923N33416I
Created by admin on Sat Dec 16 08:17:59 GMT 2023 , Edited by admin on Sat Dec 16 08:17:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-551-0
Created by admin on Sat Dec 16 08:17:59 GMT 2023 , Edited by admin on Sat Dec 16 08:17:59 GMT 2023
PRIMARY
CAS
533-00-6
Created by admin on Sat Dec 16 08:17:59 GMT 2023 , Edited by admin on Sat Dec 16 08:17:59 GMT 2023
PRIMARY
PUBCHEM
160513
Created by admin on Sat Dec 16 08:17:59 GMT 2023 , Edited by admin on Sat Dec 16 08:17:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID60890500
Created by admin on Sat Dec 16 08:17:59 GMT 2023 , Edited by admin on Sat Dec 16 08:17:59 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS