5,5-dimethyl-2-[2-oxidanylidene-3-(phenylsulfonyl)propyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-oxidanylidene-3-(phenylsulfonyl)propyl]cyclohexane-1,3-dione Openeye Name: 2-[3-(benzenesulfonyl)-2-oxo-propyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[3-(benzenesulfonyl)-2-oxopropyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[3-(benzenesulfonyl)-2-oxopropyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(3-besyl-2-keto-propyl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O5S/c1-17(2)9-15(19)14(16(20)10-17)8-12(18)11-23(21,22)13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3