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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H11F17NO6PS
Molecular Weight 651.23
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(N-ETHYLPERFLUOROOCTANESULFONAMIDO)ETHYL PHOSPHATE

SMILES

CCN(CCOP(O)(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

InChIKey=JRSUJBJSUYPODE-UHFFFAOYSA-N
InChI=1S/C12H11F17NO6PS/c1-2-30(3-4-36-37(31,32)33)38(34,35)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-4H2,1H3,(H2,31,32,33)

HIDE SMILES / InChI

Molecular Formula C12H11F17NO6PS
Molecular Weight 651.23
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 Fri Dec 15 17:48:15 GMT 2023
Edited
by admin
on Fri Dec 15 17:48:15 GMT 2023
Record UNII
2WAL15E46N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(N-ETHYLPERFLUOROOCTANESULFONAMIDO)ETHYL PHOSPHATE
Systematic Name English
N-ETHYL-N-(2-HYDROXYETHYL)PERFLUOROOCTANESULFONAMIDE PHOSPHATE MONOESTER
Systematic Name English
N-ETHYLHEPTADECAFLUORO-N-(2-(PHOSPHONOOXY)ETHYL)OCTANESULPHONAMIDE
Systematic Name English
1-OCTANESULFONAMIDE, N-ETHYL-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-N-(2-(PHOSPHONOOXY)ETHYL)-
Systematic Name English
1-OCTANESULFONAMIDE, N-ETHYL-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-N-(2-HYDROXYETHYL)-, DIHYDROGEN PHOSPHATE (ESTER)
Systematic Name English
FC 161
Systematic Name English
1-OCTANESULFONAMIDE, N-ETHYL-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-N-(2-HYDROXYETHYL)-, PHOSPHATE
Systematic Name English
Code System Code Type Description
PUBCHEM
77442
Created by admin on Fri Dec 15 17:48:15 GMT 2023 , Edited by admin on Fri Dec 15 17:48:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID8063204
Created by admin on Fri Dec 15 17:48:15 GMT 2023 , Edited by admin on Fri Dec 15 17:48:15 GMT 2023
PRIMARY
CAS
3820-83-5
Created by admin on Fri Dec 15 17:48:15 GMT 2023 , Edited by admin on Fri Dec 15 17:48:15 GMT 2023
PRIMARY
FDA UNII
2WAL15E46N
Created by admin on Fri Dec 15 17:48:15 GMT 2023 , Edited by admin on Fri Dec 15 17:48:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-317-8
Created by admin on Fri Dec 15 17:48:15 GMT 2023 , Edited by admin on Fri Dec 15 17:48:15 GMT 2023
PRIMARY