4-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-2-methyl-bicyclo[4.1.0]heptane-3,5-dione

Systemtic Name: 4-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-2-methyl-bicyclo[4.1.0]heptane-3,5-dione Openeye Name: 3-(2-chloro-3-methoxy-4-methylsulfonyl-benzoyl)-5-methyl-norcarane-2,4-dione CAS Name: 4-[(2-chloro-3-methoxy-4-methylsulfonylphenyl)-oxomethyl]-2-methylbicyclo[4.1.0]heptane-3,5-dione IUPAC Name: 4-(2-chloro-3-methoxy-4-methylsulfonylbenzoyl)-2-methylbicyclo[4.1.0]heptane-3,5-dione Traditional Name: 3-(2-chloro-4-mesyl-3-methoxy-benzoyl)-5-methyl-norcarane-2,4-quinone Formula: C17H17ClO6S MolecularWeight: 384.83128

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC2C(=O)C(C1=O)C(=O)C3=C(C(=C(C=C3)S(=O)(=O)C)OC)Cl

Isomeric SMILES

CC1C2CC2C(=O)C(C1=O)C(=O)C3=C(C(=C(C=C3)S(=O)(=O)C)OC)Cl

InChI

InChI=1S/C17H17ClO6S/c1-7-9-6-10(9)16(21)12(14(7)19)15(20)8-4-5-11(25(3,22)23)17(24-2)13(8)18/h4-5,7,9-10,12H,6H2,1-3H3