5-(4-methylsulfonylphenyl)cyclohexane-1,3-dione

Systemtic Name: 5-(4-methylsulfonylphenyl)cyclohexane-1,3-dione Openeye Name: 5-(4-methylsulfonylphenyl)cyclohexane-1,3-dione CAS Name: 5-(4-methylsulfonylphenyl)cyclohexane-1,3-dione IUPAC Name: 5-(4-methylsulfonylphenyl)cyclohexane-1,3-dione Traditional Name: 5-(4-mesylphenyl)cyclohexane-1,3-quinone Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2CC(=O)CC(=O)C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2CC(=O)CC(=O)C2

InChI

InChI=1S/C13H14O4S/c1-18(16,17)13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,10H,6-8H2,1H3