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

Systemtic Name: 4-[(4-bromanyl-3-chloranyl-phenyl)methylsulfanyl-sulfanyl-methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-bromo-3-chloro-phenyl)methylsulfanyl-sulfanyl-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(4-bromo-3-chlorophenyl)methylthio]-mercaptomethylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-bromo-3-chlorophenyl)methylsulfanyl-sulfanylmethylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-bromo-3-chloro-benzyl)thio]-mercapto-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C22H26BrClOS2 MolecularWeight: 485.92824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S)SCC2=CC(=C(C=C2)Br)Cl)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(S)SCC2=CC(=C(C=C2)Br)Cl)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H26BrClOS2/c1-21(2,3)15-10-14(11-16(19(15)25)22(4,5)6)20(26)27-12-13-7-8-17(23)18(24)9-13/h7-11,26H,12H2,1-6H3