3,5-ditert-butyl-2-[(4-fluorophenyl)methyl]-4-oxidanyl-cyclohexa-2,4-diene-1-thione

Systemtic Name: 3,5-ditert-butyl-2-[(4-fluorophenyl)methyl]-4-oxidanyl-cyclohexa-2,4-diene-1-thione Openeye Name: 3,5-ditert-butyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-cyclohexa-2,4-diene-1-thione CAS Name: 3,5-ditert-butyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-1-cyclohexa-2,4-dienethione IUPAC Name: 3,5-ditert-butyl-2-[(4-fluorophenyl)methyl]-4-hydroxycyclohexa-2,4-diene-1-thione Traditional Name: 3,5-ditert-butyl-2-(4-fluorobenzyl)-4-hydroxy-cyclohexa-2,4-diene-1-thione Formula: C21H27FOS MolecularWeight: 346.501883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=S)C1)CC2=CC=C(C=C2)F)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=S)C1)CC2=CC=C(C=C2)F)C(C)(C)C)O

InChI

InChI=1S/C21H27FOS/c1-20(2,3)16-12-17(24)15(18(19(16)23)21(4,5)6)11-13-7-9-14(22)10-8-13/h7-10,23H,11-12H2,1-6H3