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Details

Stereochemistry RACEMIC
Molecular Formula C16H24O4
Molecular Weight 280.3594
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Dihydroxypropan-2-yl 2-(4-isobutylphenyl)propanoate

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC(CO)CO

InChI

InChIKey=HTDPPMICFQBEJM-UHFFFAOYSA-N
InChI=1S/C16H24O4/c1-11(2)8-13-4-6-14(7-5-13)12(3)16(19)20-15(9-17)10-18/h4-7,11-12,15,17-18H,8-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H24O4
Molecular Weight 280.3594
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:09:48 GMT 2025
Edited
by admin
on Wed Apr 02 17:09:48 GMT 2025
Record UNII
VWB4YZ8F7X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Dihydroxypropan-2-yl 2-(4-isobutylphenyl)propanoate
Systematic Name English
2-Hydroxy-1-(hydroxymethyl)ethyl ?-methyl-4-(2-methylpropyl)benzeneacetate
Preferred Name English
Benzeneacetic acid, ?-methyl-4-(2-methylpropyl)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
VWB4YZ8F7X
Created by admin on Wed Apr 02 17:09:48 GMT 2025 , Edited by admin on Wed Apr 02 17:09:48 GMT 2025
PRIMARY
PUBCHEM
90057802
Created by admin on Wed Apr 02 17:09:48 GMT 2025 , Edited by admin on Wed Apr 02 17:09:48 GMT 2025
PRIMARY
CAS
124635-85-4
Created by admin on Wed Apr 02 17:09:48 GMT 2025 , Edited by admin on Wed Apr 02 17:09:48 GMT 2025
PRIMARY