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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18O5
Molecular Weight 254.279
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3,4,5-Trimethoxyphenyl)butyric acid, (S)-

SMILES

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

InChI

InChIKey=WBULUDGUWZFLMO-VIFPVBQESA-N
InChI=1S/C13H18O5/c1-5-9(13(14)15)8-6-10(16-2)12(18-4)11(7-8)17-3/h6-7,9H,5H2,1-4H3,(H,14,15)/t9-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-(3,4,5-Trimethoxyphenyl)butyric acid, (S)-
Systematic Name English
(S)-2-(3,4,5-Trimethoxyphenyl)butyric acid
Preferred Name English
Benzeneacetic acid, ?-ethyl-3,4,5-trimethoxy-, (?S)-
Systematic Name English
(?S)-?-Ethyl-3,4,5-trimethoxybenzeneacetic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00941287
Created by admin on Wed Apr 02 05:19:46 GMT 2025 , Edited by admin on Wed Apr 02 05:19:46 GMT 2025
PRIMARY
PUBCHEM
2771669
Created by admin on Wed Apr 02 05:19:46 GMT 2025 , Edited by admin on Wed Apr 02 05:19:46 GMT 2025
PRIMARY
FDA UNII
X953QB6PLV
Created by admin on Wed Apr 02 05:19:46 GMT 2025 , Edited by admin on Wed Apr 02 05:19:46 GMT 2025
PRIMARY
NIH
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