5,5-dimethyl-2-[[2-methyl-3-(3-methylbut-2-en-2-yl)-4-methylsulfonyl-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[2-methyl-3-(3-methylbut-2-en-2-yl)-4-methylsulfonyl-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[3-(1,2-dimethylprop-1-enyl)-2-methyl-4-methylsulfonyl-phenyl]-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-methylsulfonylphenyl]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-methylsulfonylphenyl]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[3-(1,2-dimethylprop-1-enyl)-4-mesyl-2-methyl-phenyl]-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=C(C)C)C)S(=O)(=O)C)C(=C2C(=O)CC(CC2=O)(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1C(=C(C)C)C)S(=O)(=O)C)C(=C2C(=O)CC(CC2=O)(C)C)O

InChI

InChI=1S/C22H28O5S/c1-12(2)13(3)19-14(4)15(8-9-18(19)28(7,26)27)21(25)20-16(23)10-22(5,6)11-17(20)24/h8-9,25H,10-11H2,1-7H3