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Details

Stereochemistry ACHIRAL
Molecular Formula C26H42O4
Molecular Weight 418.6093
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-(o-(hexadecyloxy)phenyl)-3-oxopropionate

SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1)C(=O)CC(=O)OC

InChI

InChIKey=IPJRKWPQYPZWAJ-UHFFFAOYSA-N
InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25-20-17-16-19-23(25)24(27)22-26(28)29-2/h16-17,19-20H,3-15,18,21-22H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Methyl 3-(o-(hexadecyloxy)phenyl)-3-oxopropionate
Common Name English
Methyl 2-(hexadecyloxy)-β-oxobenzenepropanoate
Systematic Name English
Benzenepropanoic acid, 2-(hexadecyloxy)-β-oxo-, methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
108656
Created by admin on Sat Dec 16 20:07:07 GMT 2023 , Edited by admin on Sat Dec 16 20:07:07 GMT 2023
PRIMARY
FDA UNII
XMF68KW675
Created by admin on Sat Dec 16 20:07:07 GMT 2023 , Edited by admin on Sat Dec 16 20:07:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID20203556
Created by admin on Sat Dec 16 20:07:07 GMT 2023 , Edited by admin on Sat Dec 16 20:07:07 GMT 2023
PRIMARY
CAS
55017-92-0
Created by admin on Sat Dec 16 20:07:07 GMT 2023 , Edited by admin on Sat Dec 16 20:07:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-434-6
Created by admin on Sat Dec 16 20:07:07 GMT 2023 , Edited by admin on Sat Dec 16 20:07:07 GMT 2023
PRIMARY
NIH
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