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Details

Stereochemistry ACHIRAL
Molecular Formula C42H79NO5
Molecular Weight 678.0804
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of TRIETHANOLAMINE DIOLEATE

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OCCN(CCO)CCOC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=LKJAFAGFOFGLLS-CLFAGFIQSA-N
InChI=1S/C42H79NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44H,3-16,21-40H2,1-2H3/b19-17-,20-18-

HIDE SMILES / InChI

Molecular Formula C42H79NO5
Molecular Weight 678.0804
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:31:43 GMT 2023
Edited
by admin
on Sat Dec 16 11:31:43 GMT 2023
Record UNII
40Q022F4GX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIETHANOLAMINE DIOLEATE
Systematic Name English
NSC-127404
Code English
9-OCTADECENOIC ACID (9Z)-, ((2-HYDROXYETHYL)IMINO)DI-2,1-ETHANEDIYL ESTER
Systematic Name English
9-OCTADECENOIC ACID (9Z)-, 1,1'-(((2-HYDROXYETHYL)IMINO)DI-2,1-ETHANEDIYL) ESTER
Systematic Name English
Code System Code Type Description
NSC
127404
Created by admin on Sat Dec 16 11:31:43 GMT 2023 , Edited by admin on Sat Dec 16 11:31:43 GMT 2023
PRIMARY
DAILYMED
40Q022F4GX
Created by admin on Sat Dec 16 11:31:43 GMT 2023 , Edited by admin on Sat Dec 16 11:31:43 GMT 2023
PRIMARY
RXCUI
1813434
Created by admin on Sat Dec 16 11:31:43 GMT 2023 , Edited by admin on Sat Dec 16 11:31:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-428-3
Created by admin on Sat Dec 16 11:31:43 GMT 2023 , Edited by admin on Sat Dec 16 11:31:43 GMT 2023
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PUBCHEM
6437403
Created by admin on Sat Dec 16 11:31:43 GMT 2023 , Edited by admin on Sat Dec 16 11:31:43 GMT 2023
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EPA CompTox
DTXSID20970352
Created by admin on Sat Dec 16 11:31:43 GMT 2023 , Edited by admin on Sat Dec 16 11:31:43 GMT 2023
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CAS
54999-00-7
Created by admin on Sat Dec 16 11:31:43 GMT 2023 , Edited by admin on Sat Dec 16 11:31:43 GMT 2023
PRIMARY
FDA UNII
40Q022F4GX
Created by admin on Sat Dec 16 11:31:43 GMT 2023 , Edited by admin on Sat Dec 16 11:31:43 GMT 2023
PRIMARY