2-[2-methyl-3,4-bis(methylsulfonyl)phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-methyl-3,4-bis(methylsulfonyl)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-methyl-3,4-bis(methylsulfonyl)benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-methyl-3,4-bis(methylsulfonyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-methyl-3,4-bis(methylsulfonyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-(3,4-dimesyl-2-methyl-benzoyl)cyclohexane-1,3-quinone Formula: C16H18O7S2 MolecularWeight: 386.43992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)C)S(=O)(=O)C)C(=O)C2C(=O)CCCC2=O

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)C)S(=O)(=O)C)C(=O)C2C(=O)CCCC2=O

InChI

InChI=1S/C16H18O7S2/c1-9-10(15(19)14-11(17)5-4-6-12(14)18)7-8-13(24(2,20)21)16(9)25(3,22)23/h7-8,14H,4-6H2,1-3H3