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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8I2O2
Molecular Weight 401.9676
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3,5-diiodo-4-methylbenzoate

SMILES

COC(=O)C1=CC(I)=C(C)C(I)=C1

InChI

InChIKey=YAOMNOJGMDWCRK-UHFFFAOYSA-N
InChI=1S/C9H8I2O2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H8I2O2
Molecular Weight 401.9676
Charge 0
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 Wed Apr 02 17:18:21 GMT 2025
Edited
by admin
on Wed Apr 02 17:18:21 GMT 2025
Record UNII
BK8H8C9UPW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 3,5-diiodo-4-methylbenzoate
Systematic Name English
Benzoic acid, 3,5-diiodo-4-methyl-, methyl ester
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID601298270
Created by admin on Wed Apr 02 17:18:21 GMT 2025 , Edited by admin on Wed Apr 02 17:18:21 GMT 2025
PRIMARY
PUBCHEM
72706036
Created by admin on Wed Apr 02 17:18:21 GMT 2025 , Edited by admin on Wed Apr 02 17:18:21 GMT 2025
PRIMARY
FDA UNII
BK8H8C9UPW
Created by admin on Wed Apr 02 17:18:21 GMT 2025 , Edited by admin on Wed Apr 02 17:18:21 GMT 2025
PRIMARY
CAS
1166393-91-4
Created by admin on Wed Apr 02 17:18:21 GMT 2025 , Edited by admin on Wed Apr 02 17:18:21 GMT 2025
PRIMARY