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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16BrNO4
Molecular Weight 426.26
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[4-[4-Bromo-3-(hydroxymethyl)phenoxy]-3-(hydroxymethyl)phenoxy]benzonitrile

SMILES

OCC1=C(Br)C=CC(OC2=C(CO)C=C(OC3=CC=C(C=C3)C#N)C=C2)=C1

InChI

InChIKey=LTGPAKHBLJCNDD-UHFFFAOYSA-N
InChI=1S/C21H16BrNO4/c22-20-7-5-19(9-15(20)12-24)27-21-8-6-18(10-16(21)13-25)26-17-3-1-14(11-23)2-4-17/h1-10,24-25H,12-13H2

HIDE SMILES / InChI

Molecular Formula C21H16BrNO4
Molecular Weight 426.26
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 21:21:05 GMT 2025
Edited
by admin
on Wed Apr 02 21:21:05 GMT 2025
Record UNII
F59UXY57MG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[4-[4-Bromo-3-(hydroxymethyl)phenoxy]-3-(hydroxymethyl)phenoxy]benzonitrile
Preferred Name English
Code System Code Type Description
PUBCHEM
168445311
Created by admin on Wed Apr 02 21:21:05 GMT 2025 , Edited by admin on Wed Apr 02 21:21:05 GMT 2025
PRIMARY
FDA UNII
F59UXY57MG
Created by admin on Wed Apr 02 21:21:05 GMT 2025 , Edited by admin on Wed Apr 02 21:21:05 GMT 2025
PRIMARY