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Details

Stereochemistry RACEMIC
Molecular Formula C43H82O6
Molecular Weight 695.1076
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOCOSANOIC ACID, 3-((1-OXODECYL)OXY)-2-((1-OXOOCTYL)OXY)PROPYL ESTER, (±)-

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCC

InChI

InChIKey=GEGLFISHBIKVOJ-UHFFFAOYSA-N
InChI=1S/C43H82O6/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-24-25-26-28-31-33-36-42(45)48-39-40(49-43(46)37-34-29-12-9-6-3)38-47-41(44)35-32-30-27-14-11-8-5-2/h40H,4-39H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C43H82O6
Molecular Weight 695.1076
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 Sat Dec 16 08:38:22 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:22 GMT 2023
Record UNII
ZY6EP8OX54
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOCOSANOIC ACID, 3-((1-OXODECYL)OXY)-2-((1-OXOOCTYL)OXY)PROPYL ESTER, (±)-
Common Name English
3-(DECANOYLOXY)-2-(OCTANOYLOXY)PROPYL DOCOSANOATE
Systematic Name English
Code System Code Type Description
CAS
138555-37-0
Created by admin on Sat Dec 16 08:38:22 GMT 2023 , Edited by admin on Sat Dec 16 08:38:22 GMT 2023
PRIMARY
PUBCHEM
19876724
Created by admin on Sat Dec 16 08:38:22 GMT 2023 , Edited by admin on Sat Dec 16 08:38:22 GMT 2023
PRIMARY
FDA UNII
ZY6EP8OX54
Created by admin on Sat Dec 16 08:38:22 GMT 2023 , Edited by admin on Sat Dec 16 08:38:22 GMT 2023
PRIMARY