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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H9Cl3O2
Molecular Weight 267.536
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanone, (3S)-

SMILES

O[C@@H](CC(=O)C1=CC=CC=C1)C(Cl)(Cl)Cl

InChI

InChIKey=JTJFOKGHNOVCTC-VIFPVBQESA-N
InChI=1S/C10H9Cl3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5,9,15H,6H2/t9-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(3S)-4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanone
Preferred Name English
4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanone, (3S)-
Systematic Name English
1-Butanone, 4,4,4-trichloro-3-hydroxy-1-phenyl-, (3S)-
Systematic Name English
(S)-4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanon
Systematic Name English
1-Butanone, 4,4,4-trichloro-3-hydroxy-1-phenyl-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
FEH8ZV636R
Created by admin on Wed Apr 02 20:12:27 GMT 2025 , Edited by admin on Wed Apr 02 20:12:27 GMT 2025
PRIMARY
PUBCHEM
2135482
Created by admin on Wed Apr 02 20:12:27 GMT 2025 , Edited by admin on Wed Apr 02 20:12:27 GMT 2025
PRIMARY
CAS
188854-65-1
Created by admin on Wed Apr 02 20:12:27 GMT 2025 , Edited by admin on Wed Apr 02 20:12:27 GMT 2025
PRIMARY
NIH
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