U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

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
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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
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