2,6-ditert-butyl-4-[(3-fluorophenyl)methylsulfanyl-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[(3-fluorophenyl)methylsulfanyl-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[(3-fluorophenyl)methylsulfanyl-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[[(3-fluorophenyl)methylthio]-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[(3-fluorophenyl)methylsulfanyl-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[[(3-fluorobenzyl)thio]-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C22H27FOS2 MolecularWeight: 390.577583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FOS2/c1-21(2,3)17-11-15(12-18(19(17)24)22(4,5)6)20(25)26-13-14-8-7-9-16(23)10-14/h7-12,25H,13H2,1-6H3