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

Systemtic Name: (3-oxidanyl-4-propanoyl-2-propyl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (3-hydroxy-4-propanoyl-2-propyl-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-hydroxy-4-(1-oxopropyl)-2-propylphenyl] ester IUPAC Name: (3-hydroxy-4-propanoyl-2-propylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-hydroxy-4-propionyl-2-propyl-phenyl) ester Formula: C13H15F3O5S MolecularWeight: 340.31541

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)CC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)CC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H15F3O5S/c1-3-5-9-11(21-22(19,20)13(14,15)16)7-6-8(12(9)18)10(17)4-2/h6-7,18H,3-5H2,1-2H3