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

Systemtic Name: 2-[3-(methoxymethyl)-2-methyl-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[3-(methoxymethyl)-2-methyl-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[3-(methoxymethyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[3-(methoxymethyl)-2-methyl-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[4-mesyl-3-(methoxymethyl)-2-methyl-benzoyl]cyclohexane-1,3-quinone Formula: C17H20O6S MolecularWeight: 352.4021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1COC)S(=O)(=O)C)C(=O)C2C(=O)CCCC2=O

Isomeric SMILES

CC1=C(C=CC(=C1COC)S(=O)(=O)C)C(=O)C2C(=O)CCCC2=O

InChI

InChI=1S/C17H20O6S/c1-10-11(17(20)16-13(18)5-4-6-14(16)19)7-8-15(24(3,21)22)12(10)9-23-2/h7-8,16H,4-6,9H2,1-3H3