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

Systemtic Name: 2,6-ditert-butyl-4-[(phenylmethylsulfanyl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[benzylsulfanyl(sulfanyl)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[mercapto-(phenylmethylthio)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[benzylsulfanyl(sulfanyl)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[(benzylthio)-mercapto-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C22H28OS2 MolecularWeight: 372.58712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28OS2/c1-21(2,3)17-12-16(13-18(19(17)23)22(4,5)6)20(24)25-14-15-10-8-7-9-11-15/h7-13,24H,14H2,1-6H3