S-tert-butyl 2,2-bis(fluoranyl)-3-(4-methoxyphenyl)-3-oxidanyl-propanethioate

Systemtic Name: S-tert-butyl 2,2-bis(fluoranyl)-3-(4-methoxyphenyl)-3-oxidanyl-propanethioate Openeye Name: S-tert-butyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)propanethioate CAS Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)propanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)propanethioate Traditional Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)propanethioic acid S-tert-butyl ester Formula: C14H18F2O3S MolecularWeight: 304.352726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F2O3S/c1-13(2,3)20-12(18)14(15,16)11(17)9-5-7-10(19-4)8-6-9/h5-8,11,17H,1-4H3