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

Systemtic Name: [2,3,4,5,6-pentakis(fluoranyl)phenyl] 5-methyl-3-oxidanylidene-hexane-1-sulfonate Openeye Name: (2,3,4,5,6-pentafluorophenyl) 5-methyl-3-oxo-hexane-1-sulfonate CAS Name: 5-methyl-3-oxo-1-hexanesulfonic acid IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 5-methyl-3-oxohexane-1-sulfonate Traditional Name: 3-keto-5-methyl-hexane-1-sulfonic acid (2,3,4,5,6-pentafluorophenyl) ester Formula: C13H13F5O4S MolecularWeight: 360.296936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F5O4S/c1-6(2)5-7(19)3-4-23(20,21)22-13-11(17)9(15)8(14)10(16)12(13)18/h6H,3-5H2,1-2H3