S-(3,5-ditert-butyl-4-oxidanyl-phenyl) 3,3,3-tris(fluoranyl)-2-(trifluoromethyl)propanethioate

Systemtic Name: S-(3,5-ditert-butyl-4-oxidanyl-phenyl) 3,3,3-tris(fluoranyl)-2-(trifluoromethyl)propanethioate Openeye Name: S-(3,5-ditert-butyl-4-hydroxy-phenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanethioate CAS Name: 3,3,3-trifluoro-2-(trifluoromethyl)propanethioic acid S-(3,5-ditert-butyl-4-hydroxyphenyl) ester IUPAC Name: S-(3,5-ditert-butyl-4-hydroxyphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanethioate Traditional Name: 3,3,3-trifluoro-2-(trifluoromethyl)propanethioic acid S-(3,5-ditert-butyl-4-hydroxy-phenyl) ester Formula: C18H22F6O2S MolecularWeight: 416.421499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(=O)C(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(=O)C(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H22F6O2S/c1-15(2,3)10-7-9(8-11(12(10)25)16(4,5)6)27-14(26)13(17(19,20)21)18(22,23)24/h7-8,13,25H,1-6H3