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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5O2.Ba.2H2O
Molecular Weight 415.584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARIUM BENZOATE DIHYDRATE

SMILES

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

InChI

InChIKey=YRROCXGSEVSOSJ-UHFFFAOYSA-L
InChI=1S/2C7H6O2.Ba.2H2O/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;2*1H2/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 C7H6O2
Molecular Weight 122.1213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
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 21:29:09 GMT 2025
Edited
by admin
on Mon Mar 31 21:29:09 GMT 2025
Record UNII
76C9VB7ZEO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID BARIUM SALT DIHYDRATE
MI  
Preferred Name English
BARIUM BENZOATE DIHYDRATE
Systematic Name English
BENZOIC ACID, BARIUM SALT, HYDRATE (2:1:2)
Common Name English
BENZOIC ACID BARIUM SALT DIHYDRATE [MI]
Common Name English
BENZOIC ACID, BARIUM SALT, DIHYDRATE
Common Name English
Code System Code Type Description
FDA UNII
76C9VB7ZEO
Created by admin on Mon Mar 31 21:29:09 GMT 2025 , Edited by admin on Mon Mar 31 21:29:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID90207809
Created by admin on Mon Mar 31 21:29:09 GMT 2025 , Edited by admin on Mon Mar 31 21:29:09 GMT 2025
PRIMARY
MERCK INDEX
m2363
Created by admin on Mon Mar 31 21:29:09 GMT 2025 , Edited by admin on Mon Mar 31 21:29:09 GMT 2025
PRIMARY Merck Index
PUBCHEM
71586829
Created by admin on Mon Mar 31 21:29:09 GMT 2025 , Edited by admin on Mon Mar 31 21:29:09 GMT 2025
PRIMARY
CAS
5908-68-9
Created by admin on Mon Mar 31 21:29:09 GMT 2025 , Edited by admin on Mon Mar 31 21:29:09 GMT 2025
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE