5,5-dimethyl-2-[2-methylsulfonyl-6-(phenylcarbonyl)thiopyran-4-ylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-methylsulfonyl-6-(phenylcarbonyl)thiopyran-4-ylidene]cyclohexane-1,3-dione Openeye Name: 2-(2-benzoyl-6-methylsulfonyl-thiopyran-4-ylidene)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-(2-benzoyl-6-methylsulfonyl-4-thiopyranylidene)-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(2-benzoyl-6-methylsulfonylthiopyran-4-ylidene)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(2-benzoyl-6-mesyl-thiopyran-4-ylidene)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H20O5S2 MolecularWeight: 416.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C2C=C(SC(=C2)S(=O)(=O)C)C(=O)C3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C2C=C(SC(=C2)S(=O)(=O)C)C(=O)C3=CC=CC=C3)C(=O)C1)C

InChI

InChI=1S/C21H20O5S2/c1-21(2)11-15(22)19(16(23)12-21)14-9-17(27-18(10-14)28(3,25)26)20(24)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3