5-methyl-5-(3-methylsulfonylphenyl)cyclohexane-1,3-dione

Systemtic Name: 5-methyl-5-(3-methylsulfonylphenyl)cyclohexane-1,3-dione Openeye Name: 5-methyl-5-(3-methylsulfonylphenyl)cyclohexane-1,3-dione CAS Name: 5-methyl-5-(3-methylsulfonylphenyl)cyclohexane-1,3-dione IUPAC Name: 5-methyl-5-(3-methylsulfonylphenyl)cyclohexane-1,3-dione Traditional Name: 5-(3-mesylphenyl)-5-methyl-cyclohexane-1,3-quinone Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(=O)C1)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1(CC(=O)CC(=O)C1)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H16O4S/c1-14(8-11(15)7-12(16)9-14)10-4-3-5-13(6-10)19(2,17)18/h3-6H,7-9H2,1-2H3