tert-butyl 6-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate

Systemtic Name: tert-butyl 6-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate Openeye Name: tert-butyl 2-hydroxy-6-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-3-(trifluoromethyl)benzoate CAS Name: 2-hydroxy-6-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-3-(trifluoromethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-hydroxy-6-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-3-(trifluoromethyl)benzoate Traditional Name: 2-hydroxy-6-[[4-(3-mesylphenyl)phenoxy]methyl]-3-(trifluoromethyl)benzoic acid tert-butyl ester Formula: C26H25F3O6S MolecularWeight: 522.53331

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1O)C(F)(F)F)COC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1O)C(F)(F)F)COC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C26H25F3O6S/c1-25(2,3)35-24(31)22-18(10-13-21(23(22)30)26(27,28)29)15-34-19-11-8-16(9-12-19)17-6-5-7-20(14-17)36(4,32)33/h5-14,30H,15H2,1-4H3