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

Systemtic Name: 2,6-ditert-butyl-4-[(4-methylphenyl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[p-tolyl(sulfanyl)methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[mercapto-(4-methylphenyl)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[(4-methylphenyl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[mercapto(p-tolyl)methylene]cyclohexa-2,5-dien-1-one Formula: C22H28OS MolecularWeight: 340.52212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)S

Isomeric SMILES

CC1=CC=C(C=C1)C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)S

InChI

InChI=1S/C22H28OS/c1-14-8-10-15(11-9-14)20(24)16-12-17(21(2,3)4)19(23)18(13-16)22(5,6)7/h8-13,24H,1-7H3