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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H9F26O4P
Molecular Weight 790.1725
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIS(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-1-OCTANOL) HYDROGEN PHOSPHATE

SMILES

OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

InChIKey=ZDYYWMSLMLTXDM-UHFFFAOYSA-N
InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)

HIDE SMILES / InChI

Molecular Formula C16H9F26O4P
Molecular Weight 790.1725
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 08:31:49 GMT 2023
Edited
by admin
on Sat Dec 16 08:31:49 GMT 2023
Record UNII
KL1LI0INZD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-1-OCTANOL) HYDROGEN PHOSPHATE
Common Name English
1-OCTANOL, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-, 1,1'-(HYDROGEN PHOSPHATE)
Systematic Name English
Code System Code Type Description
FDA UNII
KL1LI0INZD
Created by admin on Sat Dec 16 08:31:49 GMT 2023 , Edited by admin on Sat Dec 16 08:31:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID50561590
Created by admin on Sat Dec 16 08:31:49 GMT 2023 , Edited by admin on Sat Dec 16 08:31:49 GMT 2023
PRIMARY
CAS
57677-95-9
Created by admin on Sat Dec 16 08:31:49 GMT 2023 , Edited by admin on Sat Dec 16 08:31:49 GMT 2023
PRIMARY
PUBCHEM
14550408
Created by admin on Sat Dec 16 08:31:49 GMT 2023 , Edited by admin on Sat Dec 16 08:31:49 GMT 2023
PRIMARY