4-bromanyl-2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-cyclohexane-1,3-dione

Systemtic Name: 4-bromanyl-2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 4-bromo-2-(2-chloro-4-methylsulfonyl-benzoyl)cyclohexane-1,3-dione CAS Name: 4-bromo-2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 4-bromo-2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione Traditional Name: 4-bromo-2-(2-chloro-4-mesyl-benzoyl)cyclohexane-1,3-quinone Formula: C14H12BrClO5S MolecularWeight: 407.66408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCC(C2=O)Br)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCC(C2=O)Br)Cl

InChI

InChI=1S/C14H12BrClO5S/c1-22(20,21)7-2-3-8(10(16)6-7)13(18)12-11(17)5-4-9(15)14(12)19/h2-3,6,9,12H,4-5H2,1H3