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Details

Stereochemistry ACHIRAL
Molecular Formula C29H50O2
Molecular Weight 430.7061
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl docosanoate

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChIKey=FYOGVGKALAEVBF-UHFFFAOYSA-N
InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(30)31-27-28-24-21-20-22-25-28/h20-22,24-25H,2-19,23,26-27H2,1H3

HIDE SMILES / InChI

Molecular Formula C29H50O2
Molecular Weight 430.7061
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 Tue Apr 01 17:01:53 GMT 2025
Edited
by admin
on Tue Apr 01 17:01:53 GMT 2025
Record UNII
B8N3FPT38H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyl docosanoate
Systematic Name English
Docosanoic acid, phenylmethyl ester
Preferred Name English
Phenylmethyl docosanoate
Systematic Name English
Code System Code Type Description
FDA UNII
B8N3FPT38H
Created by admin on Tue Apr 01 17:01:53 GMT 2025 , Edited by admin on Tue Apr 01 17:01:53 GMT 2025
PRIMARY
CAS
85263-74-7
Created by admin on Tue Apr 01 17:01:53 GMT 2025 , Edited by admin on Tue Apr 01 17:01:53 GMT 2025
PRIMARY
PUBCHEM
3020589
Created by admin on Tue Apr 01 17:01:53 GMT 2025 , Edited by admin on Tue Apr 01 17:01:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
286-552-5
Created by admin on Tue Apr 01 17:01:53 GMT 2025 , Edited by admin on Tue Apr 01 17:01:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID80234462
Created by admin on Tue Apr 01 17:01:53 GMT 2025 , Edited by admin on Tue Apr 01 17:01:53 GMT 2025
PRIMARY