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

Systemtic Name: (2E)-4,4-dimethyl-2-[[2-methyl-3-(3-methylbut-2-en-2-yl)-4-methylsulfonyl-phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: (2E)-2-[[3-(1,2-dimethylprop-1-enyl)-2-methyl-4-methylsulfonyl-phenyl]-hydroxy-methylene]-4,4-dimethyl-cyclohexane-1,3-dione CAS Name: (2E)-2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-methylsulfonylphenyl]methylidene]-4,4-dimethylcyclohexane-1,3-dione IUPAC Name: (2E)-2-[hydroxy-[2-methyl-3-(3-methylbut-2-en-2-yl)-4-methylsulfonylphenyl]methylidene]-4,4-dimethylcyclohexane-1,3-dione Traditional Name: (2E)-2-[[3-(1,2-dimethylprop-1-enyl)-4-mesyl-2-methyl-phenyl]-hydroxy-methylene]-4,4-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)CCC(C2=O)(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1C(=C(C)C)C)S(=O)(=O)C)/C(=C\2/C(=O)CCC(C2=O)(C)C)/O

InChI

InChI=1S/C22H28O5S/c1-12(2)13(3)18-14(4)15(8-9-17(18)28(7,26)27)20(24)19-16(23)10-11-22(5,6)21(19)25/h8-9,24H,10-11H2,1-7H3/b20-19+