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

Details

Stereochemistry MIXED
Molecular Formula C53H91F11O7
Molecular Weight 1049.2679
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIOCTYLDODECYL FLUOROHEPTYL CITRATE

SMILES

CCCCCCCCCCC(CCCCCCCC)COC(=O)CC(O)(CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC(CCCCCCCC)CCCCCCCCCC

InChI

InChIKey=CKLFCQSAMZMOJN-UHFFFAOYSA-N
InChI=1S/C53H91F11O7/c1-5-9-13-17-21-23-27-31-34-43(33-29-25-19-15-11-7-3)41-70-46(66)40-48(68,39-45(65)69-38-37-49(54,55)50(56,57)51(58,59)52(60,61)53(62,63)64)47(67)71-42-44(35-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h43-44,68H,5-42H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C53H91F11O7
Molecular Weight 1049.2679
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:01:49 GMT 2023
Edited
by admin
on Sat Dec 16 02:01:49 GMT 2023
Record UNII
C8K53U029H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIOCTYLDODECYL FLUOROHEPTYL CITRATE
INCI  
INCI  
Official Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, 1,2-BIS(2-OCTYLDODECYL) 3-(3,3,4,4,5,5,6,6,7,7,7-UNDECAFLUOROHEPTYL) ESTER
Common Name English
BIOSIL BASICS FLUORO GUERBET 3.5
Brand Name English
(±)-DIOCTYLDODECYL FLUOROHEPTYL CITRATE
Systematic Name English
DIOCTYLDODECYL FLUOROHEPTYL CITRATE [INCI]
Common Name English
DIOCTYLDODECYL FLUOROHEPTYL CITRATE, (±)-
Systematic Name English
Code System Code Type Description
CAS
214334-16-4
Created by admin on Sat Dec 16 02:01:49 GMT 2023 , Edited by admin on Sat Dec 16 02:01:49 GMT 2023
PRIMARY
PUBCHEM
71587642
Created by admin on Sat Dec 16 02:01:49 GMT 2023 , Edited by admin on Sat Dec 16 02:01:49 GMT 2023
PRIMARY
FDA UNII
C8K53U029H
Created by admin on Sat Dec 16 02:01:49 GMT 2023 , Edited by admin on Sat Dec 16 02:01:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID00882989
Created by admin on Sat Dec 16 02:01:49 GMT 2023 , Edited by admin on Sat Dec 16 02:01:49 GMT 2023
PRIMARY