2-(2-chloranyl-4-ethylsulfonyl-phenyl)carbonyl-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(2-chloranyl-4-ethylsulfonyl-phenyl)carbonyl-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(2-chloro-4-ethylsulfonyl-benzoyl)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-ethylsulfonylphenyl)-oxomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(2-chloro-4-ethylsulfonylbenzoyl)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(2-chloro-4-esyl-benzoyl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H19ClO5S MolecularWeight: 370.84776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CC(CC2=O)(C)C)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CC(CC2=O)(C)C)Cl

InChI

InChI=1S/C17H19ClO5S/c1-4-24(22,23)10-5-6-11(12(18)7-10)16(21)15-13(19)8-17(2,3)9-14(15)20/h5-7,15H,4,8-9H2,1-3H3