3-(2-chloranyl-4-methylsulfonyl-phenyl)carbonylbicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-(2-chloranyl-4-methylsulfonyl-phenyl)carbonylbicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-(2-chloro-4-methylsulfonyl-benzoyl)bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-(2-chloro-4-methylsulfonylbenzoyl)bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-(2-chloro-4-mesyl-benzoyl)bicyclo[3.2.1]octane-2,4-quinone Formula: C16H15ClO5S MolecularWeight: 354.8053

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)C3CCC(C3)C2=O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)C3CCC(C3)C2=O)Cl

InChI

InChI=1S/C16H15ClO5S/c1-23(21,22)10-4-5-11(12(17)7-10)16(20)13-14(18)8-2-3-9(6-8)15(13)19/h4-5,7-9,13H,2-3,6H2,1H3