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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5O2.Ni.3H2O
Molecular Weight 354.966
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICKEL BENZOATE TRIHYDRATE

SMILES

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

InChI

InChIKey=BFQLHCFZSJYZKZ-UHFFFAOYSA-L
InChI=1S/2C7H6O2.Ni.3H2O/c2*8-7(9)6-4-2-1-3-5-6;;;;/h2*1-5H,(H,8,9);;3*1H2/q;;+2;;;/p-2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
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 Ni
Molecular Weight 58.6934
Charge 2
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 04:36:19 UTC 2023
Edited
by admin
on Sat Dec 16 04:36:19 UTC 2023
Record UNII
S45BEY4710
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICKEL BENZOATE TRIHYDRATE
Systematic Name English
BENZOIC ACID, NICKEL(2+) SALT, HYDRATE (2:1:3)
Common Name English
BENZOIC ACID NICKEL SALT TRIHYDRATE [MI]
Common Name English
BENZOIC ACID NICKEL SALT TRIHYDRATE
MI  
Common Name English
BENZOIC ACID, NICKEL(2+) SALT, TRIHYDRATE
Common Name English
Code System Code Type Description
FDA UNII
S45BEY4710
Created by admin on Sat Dec 16 04:36:19 UTC 2023 , Edited by admin on Sat Dec 16 04:36:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID20208925
Created by admin on Sat Dec 16 04:36:19 UTC 2023 , Edited by admin on Sat Dec 16 04:36:19 UTC 2023
PRIMARY
MERCK INDEX
m2363
Created by admin on Sat Dec 16 04:36:19 UTC 2023 , Edited by admin on Sat Dec 16 04:36:19 UTC 2023
PRIMARY Merck Index
PUBCHEM
71586844
Created by admin on Sat Dec 16 04:36:19 UTC 2023 , Edited by admin on Sat Dec 16 04:36:19 UTC 2023
PRIMARY
CAS
6018-91-3
Created by admin on Sat Dec 16 04:36:19 UTC 2023 , Edited by admin on Sat Dec 16 04:36:19 UTC 2023
PRIMARY