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Details

Stereochemistry ACHIRAL
Molecular Formula C18H25IO3
Molecular Weight 416.2938
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate

SMILES

CCC1=C(I)C=C(C=C1)C(C)(C)C(=O)CC(=O)OC(C)(C)C

InChI

InChIKey=HTOKKYUVGMHADM-UHFFFAOYSA-N
InChI=1S/C18H25IO3/c1-7-12-8-9-13(10-14(12)19)18(5,6)15(20)11-16(21)22-17(2,3)4/h8-10H,7,11H2,1-6H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,1-Dimethylethyl 4-ethyl-3-iodo-?,?-dimethyl-?-oxobenzenebutanoate
Preferred Name English
tert-Butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
66834434
Created by admin on Wed Apr 02 21:23:50 GMT 2025 , Edited by admin on Wed Apr 02 21:23:50 GMT 2025
PRIMARY
CAS
1256584-74-3
Created by admin on Wed Apr 02 21:23:50 GMT 2025 , Edited by admin on Wed Apr 02 21:23:50 GMT 2025
PRIMARY
FDA UNII
F7TNW9PW4W
Created by admin on Wed Apr 02 21:23:50 GMT 2025 , Edited by admin on Wed Apr 02 21:23:50 GMT 2025
PRIMARY
NIH
NCATS
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