2-chloranyl-3-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-bicyclo[3.2.1]oct-2-en-4-one

Systemtic Name: 2-chloranyl-3-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-bicyclo[3.2.1]oct-2-en-4-one Openeye Name: 2-chloro-3-(2-chloro-3-methoxy-4-methylsulfonyl-benzoyl)bicyclo[3.2.1]oct-2-en-4-one CAS Name: 2-chloro-3-[(2-chloro-3-methoxy-4-methylsulfonylphenyl)-oxomethyl]-4-bicyclo[3.2.1]oct-2-enone IUPAC Name: 2-chloro-3-(2-chloro-3-methoxy-4-methylsulfonylbenzoyl)bicyclo[3.2.1]oct-2-en-4-one Traditional Name: 2-chloro-3-(2-chloro-4-mesyl-3-methoxy-benzoyl)bicyclo[3.2.1]oct-2-en-4-one Formula: C17H16Cl2O5S MolecularWeight: 403.27694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1Cl)C(=O)C2=C(C3CCC(C3)C2=O)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1Cl)C(=O)C2=C(C3CCC(C3)C2=O)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H16Cl2O5S/c1-24-17-11(25(2,22)23)6-5-10(14(17)19)16(21)12-13(18)8-3-4-9(7-8)15(12)20/h5-6,8-9H,3-4,7H2,1-2H3