Phenacyltetrahydrothiophenium perfluorooctanesulfonate

HCID 22564586
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(C[S+]1CCCC1)c1ccccc1.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
InChIKey
OVPZAOJZNPLOSY-UHFFFAOYSA-M
Molecular formula
C20H15F17O4S2
Average molar mass
706.4 g/mol

Names & identifiers

Preferred name
Phenacyltetrahydrothiophenium perfluorooctanesulfonate
IUPAC
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone

Names & synonyms

phenacyltetrahydrothiophenium perfluorooctanesulfonateSCHEMBL41913351-(2-oxo-2-phenylethyl)tetrahydrothiophenium heptadecafluorooctanesulfonate

Database identifiers

PubChem CID
22564586

Properties

Computed structural properties

Topological polar surface area
83.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
21
Rotatable bonds
9
Heavy atoms
43

Related reactions

1 records
New reaction record

Linked notes

Loading…