4,6-ditert-butyl-3-oxidanyl-2-(phenylcarbonyl)cyclohepta-2,4,6-trien-1-one

Systemtic Name: 4,6-ditert-butyl-3-oxidanyl-2-(phenylcarbonyl)cyclohepta-2,4,6-trien-1-one Openeye Name: 2-benzoyl-4,6-ditert-butyl-3-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 2-benzoyl-4,6-ditert-butyl-3-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-benzoyl-4,6-ditert-butyl-3-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 2-benzoyl-4,6-ditert-butyl-3-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C22H26O3 MolecularWeight: 338.44004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O3/c1-21(2,3)15-12-16(22(4,5)6)20(25)18(17(23)13-15)19(24)14-10-8-7-9-11-14/h7-13,25H,1-6H3