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Details

Stereochemistry ACHIRAL
Molecular Formula C22H44O2.C6H15NO3
Molecular Weight 489.7718
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Docosanoic acid, compd. with 2,2′,2′′-nitrilotris[ethanol]

SMILES

OCCN(CCO)CCO.CCCCCCCCCCCCCCCCCCCCCC(O)=O

InChI

InChIKey=GCACVWDCQDRJLA-UHFFFAOYSA-N
InChI=1S/C22H44O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;8-4-1-7(2-5-9)3-6-10/h2-21H2,1H3,(H,23,24);8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula C22H44O2
Molecular Weight 340.5836
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H15NO3
Molecular Weight 149.1882
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 Sat Dec 16 12:21:17 UTC 2023
Edited
by admin
on Sat Dec 16 12:21:17 UTC 2023
Record UNII
YUF2L4N2BY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Docosanoic acid, compd. with 2,2′,2′′-nitrilotris[ethanol]
Systematic Name English
Docosanoic acid, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
YUF2L4N2BY
Created by admin on Sat Dec 16 12:21:17 UTC 2023 , Edited by admin on Sat Dec 16 12:21:17 UTC 2023
PRIMARY
PUBCHEM
161471
Created by admin on Sat Dec 16 12:21:17 UTC 2023 , Edited by admin on Sat Dec 16 12:21:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
246-462-9
Created by admin on Sat Dec 16 12:21:17 UTC 2023 , Edited by admin on Sat Dec 16 12:21:17 UTC 2023
PRIMARY
CAS
24794-57-8
Created by admin on Sat Dec 16 12:21:17 UTC 2023 , Edited by admin on Sat Dec 16 12:21:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID3067023
Created by admin on Sat Dec 16 12:21:17 UTC 2023 , Edited by admin on Sat Dec 16 12:21:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE