(4-propanoyl-2-propyl-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (4-propanoyl-2-propyl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (4-propanoyl-2-propyl-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(1-oxopropyl)-2-propylphenyl] ester IUPAC Name: (4-propanoyl-2-propylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4-propionyl-2-propyl-phenyl) ester Formula: C13H15F3O4S MolecularWeight: 324.31601

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H15F3O4S/c1-3-5-10-8-9(11(17)4-2)6-7-12(10)20-21(18,19)13(14,15)16/h6-8H,3-5H2,1-2H3