U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H4IO2.Ca
Molecular Weight 534.098
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM IODOBENZOATE

SMILES

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

InChI

InChIKey=JFBWFWLJNXTXQJ-UHFFFAOYSA-L
InChI=1S/2C7H5IO2.Ca/c2*8-6-3-1-2-5(4-6)7(9)10;/h2*1-4H,(H,9,10);/q;;+2/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZOIC ACID, 3-IODO-, CALCIUM SALT (2:1)
Preferred Name English
CALCIUM IODOBENZOATE
Systematic Name English
CALCIUM M-IODOBENZOATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00188539
Created by admin on Mon Mar 31 21:36:54 GMT 2025 , Edited by admin on Mon Mar 31 21:36:54 GMT 2025
PRIMARY
CAS
350024-07-6
Created by admin on Mon Mar 31 21:36:54 GMT 2025 , Edited by admin on Mon Mar 31 21:36:54 GMT 2025
PRIMARY
PUBCHEM
71587712
Created by admin on Mon Mar 31 21:36:54 GMT 2025 , Edited by admin on Mon Mar 31 21:36:54 GMT 2025
PRIMARY
FDA UNII
KEE5PY0UUS
Created by admin on Mon Mar 31 21:36:54 GMT 2025 , Edited by admin on Mon Mar 31 21:36:54 GMT 2025
PRIMARY