3-(phenylsulfonyl)-2-(2,4,6-trimethylphenyl)carbonyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 3-(phenylsulfonyl)-2-(2,4,6-trimethylphenyl)carbonyl-cyclohexa-2,4-dien-1-one Openeye Name: 3-(benzenesulfonyl)-2-(2,4,6-trimethylbenzoyl)cyclohexa-2,4-dien-1-one CAS Name: 3-(benzenesulfonyl)-2-[oxo-(2,4,6-trimethylphenyl)methyl]-1-cyclohexa-2,4-dienone IUPAC Name: 3-(benzenesulfonyl)-2-(2,4,6-trimethylbenzoyl)cyclohexa-2,4-dien-1-one Traditional Name: 3-besyl-2-(2,4,6-trimethylbenzoyl)cyclohexa-2,4-dien-1-one Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=C(C=CCC2=O)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=C(C=CCC2=O)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20O4S/c1-14-12-15(2)20(16(3)13-14)22(24)21-18(23)10-7-11-19(21)27(25,26)17-8-5-4-6-9-17/h4-9,11-13H,10H2,1-3H3