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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5O2.Ca.3H2O
Molecular Weight 336.351
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM BENZOATE TRIHYDRATE

SMILES

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

InChI

InChIKey=HZQXCUSDXIKLGS-UHFFFAOYSA-L
InChI=1S/2C7H6O2.Ca.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

Approval Year

Name Type Language
CALCIUM BENZOATE TRIHYDRATE
Systematic Name English
BENZOIC ACID CALCIUM SALT TRIHYDRATE [MI]
Common Name English
BENZOIC ACID, CALCIUM SALT, HYDRATE (2:1:3)
Common Name English
BENZOIC ACID, CALCIUM SALT, TRIHYDRATE
Common Name English
BENZOIC ACID CALCIUM SALT TRIHYDRATE
MI  
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30206018
Created by admin on Sat Dec 16 04:36:18 UTC 2023 , Edited by admin on Sat Dec 16 04:36:18 UTC 2023
PRIMARY
PUBCHEM
24212009
Created by admin on Sat Dec 16 04:36:18 UTC 2023 , Edited by admin on Sat Dec 16 04:36:18 UTC 2023
PRIMARY
MERCK INDEX
m2363
Created by admin on Sat Dec 16 04:36:18 UTC 2023 , Edited by admin on Sat Dec 16 04:36:18 UTC 2023
PRIMARY Merck Index
FDA UNII
209829NC6Z
Created by admin on Sat Dec 16 04:36:18 UTC 2023 , Edited by admin on Sat Dec 16 04:36:18 UTC 2023
PRIMARY
CAS
5743-30-6
Created by admin on Sat Dec 16 04:36:18 UTC 2023 , Edited by admin on Sat Dec 16 04:36:18 UTC 2023
PRIMARY