(2-pentanoylphenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (2-pentanoylphenyl) tris(fluoranyl)methanesulfonate Openeye Name: (2-pentanoylphenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(1-oxopentyl)phenyl] ester IUPAC Name: (2-pentanoylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-valerylphenyl) ester Formula: C12H13F3O4S MolecularWeight: 310.28943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H13F3O4S/c1-2-3-7-10(16)9-6-4-5-8-11(9)19-20(17,18)12(13,14)15/h4-6,8H,2-3,7H2,1H3