S-[[3,5-bis(fluoranyl)phenyl]methyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-[[3,5-bis(fluoranyl)phenyl]methyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-[(3,5-difluorophenyl)methyl] 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-[(3,5-difluorophenyl)methyl] ester IUPAC Name: S-[(3,5-difluorophenyl)methyl] 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(3,5-difluorobenzyl) ester Formula: C22H26F2O2S MolecularWeight: 392.502446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CC(=CC(=C2)F)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C22H26F2O2S/c1-21(2,3)17-9-14(10-18(19(17)25)22(4,5)6)20(26)27-12-13-7-15(23)11-16(24)8-13/h7-11,25H,12H2,1-6H3