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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 Sat Dec 16 05:18:50 GMT 2023
Edited
by admin
on Sat Dec 16 05:18:50 GMT 2023
Record UNII
76C9VB7ZEO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
MI  
Common Name English
BENZOIC ACID, BARIUM SALT, DIHYDRATE
Common Name English
Code System Code Type Description
FDA UNII
76C9VB7ZEO
Created by admin on Sat Dec 16 05:18:51 GMT 2023 , Edited by admin on Sat Dec 16 05:18:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID90207809
Created by admin on Sat Dec 16 05:18:51 GMT 2023 , Edited by admin on Sat Dec 16 05:18:51 GMT 2023
PRIMARY
MERCK INDEX
m2363
Created by admin on Sat Dec 16 05:18:51 GMT 2023 , Edited by admin on Sat Dec 16 05:18:51 GMT 2023
PRIMARY Merck Index
PUBCHEM
71586829
Created by admin on Sat Dec 16 05:18:51 GMT 2023 , Edited by admin on Sat Dec 16 05:18:51 GMT 2023
PRIMARY
CAS
5908-68-9
Created by admin on Sat Dec 16 05:18:51 GMT 2023 , Edited by admin on Sat Dec 16 05:18:51 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE