2-(2-methylphenyl)-5-(methylsulfonylmethyl)cyclohexane-1,3-dione

Systemtic Name: 2-(2-methylphenyl)-5-(methylsulfonylmethyl)cyclohexane-1,3-dione Openeye Name: 5-(methylsulfonylmethyl)-2-(o-tolyl)cyclohexane-1,3-dione CAS Name: 2-(2-methylphenyl)-5-(methylsulfonylmethyl)cyclohexane-1,3-dione IUPAC Name: 2-(2-methylphenyl)-5-(methylsulfonylmethyl)cyclohexane-1,3-dione Traditional Name: 5-(mesylmethyl)-2-(o-tolyl)cyclohexane-1,3-quinone Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=O)CC(CC2=O)CS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2C(=O)CC(CC2=O)CS(=O)(=O)C

InChI

InChI=1S/C15H18O4S/c1-10-5-3-4-6-12(10)15-13(16)7-11(8-14(15)17)9-20(2,18)19/h3-6,11,15H,7-9H2,1-2H3