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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H4ClF15O2S
Molecular Weight 544.664
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of p-(Pentadecafluoroheptyl)benzenesulfonyl chloride

SMILES

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O

InChI

InChIKey=PPKJGFABEANLHW-UHFFFAOYSA-N
InChI=1S/C13H4ClF15O2S/c14-32(30,31)6-3-1-5(2-4-6)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)29/h1-4H

HIDE SMILES / InChI

Molecular Formula C13H4ClF15O2S
Molecular Weight 544.664
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 12:31:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:31:32 GMT 2023
Record UNII
5GP5K92UJN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
p-(Pentadecafluoroheptyl)benzenesulfonyl chloride
Systematic Name English
Benzenesulfonyl chloride, 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-
Systematic Name English
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptyl)benzenesulfonyl chloride
Systematic Name English
Code System Code Type Description
PUBCHEM
117485
Created by admin on Sat Dec 16 12:31:32 GMT 2023 , Edited by admin on Sat Dec 16 12:31:32 GMT 2023
PRIMARY
FDA UNII
5GP5K92UJN
Created by admin on Sat Dec 16 12:31:32 GMT 2023 , Edited by admin on Sat Dec 16 12:31:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
246-984-7
Created by admin on Sat Dec 16 12:31:32 GMT 2023 , Edited by admin on Sat Dec 16 12:31:32 GMT 2023
PRIMARY
CAS
25444-35-3
Created by admin on Sat Dec 16 12:31:32 GMT 2023 , Edited by admin on Sat Dec 16 12:31:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID30180102
Created by admin on Sat Dec 16 12:31:32 GMT 2023 , Edited by admin on Sat Dec 16 12:31:32 GMT 2023
PRIMARY