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[2,3,4,5,6-pentakis(fluoranyl)phenyl] 4-ethyl-3-oxidanylidene-octane-1-sulfonate

[2,3,4,5,6-pentakis(fluoranyl)phenyl] 4-ethyl-3-oxidanylidene-octane-1-sulfonate

Systemtic Name:[2,3,4,5,6-pentakis(fluoranyl)phenyl] 4-ethyl-3-oxidanylidene-octane-1-sulfonate
Openeye Name:(2,3,4,5,6-pentafluorophenyl) 4-ethyl-3-oxo-octane-1-sulfonate
CAS Name:4-ethyl-3-oxo-1-octanesulfonic acid
IUPAC Name:(2,3,4,5,6-pentafluorophenyl) 4-ethyl-3-oxooctane-1-sulfonate
Traditional Name:4-ethyl-3-keto-octane-1-sulfonic acid (2,3,4,5,6-pentafluorophenyl) ester
Formula: C16H19F5O4S
MolecularWeight: 402.376676
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)CCS(=O)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F


Isomeric SMILES

CCCCC(CC)C(=O)CCS(=O)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F


InChI

InChI=1S/C16H19F5O4S/c1-3-5-6-9(4-2)10(22)7-8-26(23,24)25-16-14(20)12(18)11(17)13(19)15(16)21/h9H,3-8H2,1-2H3


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