S-[(4-fluorophenyl)methyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-[(4-fluorophenyl)methyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-[(4-fluorophenyl)methyl] 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-[(4-fluorophenyl)methyl] ester IUPAC Name: S-[(4-fluorophenyl)methyl] 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(4-fluorobenzyl) ester Formula: C22H27FO2S MolecularWeight: 374.511983

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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=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C22H27FO2S/c1-21(2,3)17-11-15(12-18(19(17)24)22(4,5)6)20(25)26-13-14-7-9-16(23)10-8-14/h7-12,24H,13H2,1-6H3