5-methyl-2-[2-methyl-3,4-bis(methylsulfonyl)phenyl]carbonyl-cyclohexane-1,3-dione

Systemtic Name: 5-methyl-2-[2-methyl-3,4-bis(methylsulfonyl)phenyl]carbonyl-cyclohexane-1,3-dione Openeye Name: 5-methyl-2-[2-methyl-3,4-bis(methylsulfonyl)benzoyl]cyclohexane-1,3-dione CAS Name: 5-methyl-2-[[2-methyl-3,4-bis(methylsulfonyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 5-methyl-2-[2-methyl-3,4-bis(methylsulfonyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-(3,4-dimesyl-2-methyl-benzoyl)-5-methyl-cyclohexane-1,3-quinone Formula: C17H20O7S2 MolecularWeight: 400.4665

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(=O)C1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)S(=O)(=O)C)C

Isomeric SMILES

CC1CC(=O)C(C(=O)C1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C17H20O7S2/c1-9-7-12(18)15(13(19)8-9)16(20)11-5-6-14(25(3,21)22)17(10(11)2)26(4,23)24/h5-6,9,15H,7-8H2,1-4H3