2-(2-bromanyl-4-methylsulfonyl-phenyl)cyclopentane-1,3-dione

Systemtic Name: 2-(2-bromanyl-4-methylsulfonyl-phenyl)cyclopentane-1,3-dione Openeye Name: 2-(2-bromo-4-methylsulfonyl-phenyl)cyclopentane-1,3-dione CAS Name: 2-(2-bromo-4-methylsulfonylphenyl)cyclopentane-1,3-dione IUPAC Name: 2-(2-bromo-4-methylsulfonylphenyl)cyclopentane-1,3-dione Traditional Name: 2-(2-bromo-4-mesyl-phenyl)cyclopentane-1,3-quinone Formula: C12H11BrO4S MolecularWeight: 331.18234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2C(=O)CCC2=O)Br

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2C(=O)CCC2=O)Br

InChI

InChI=1S/C12H11BrO4S/c1-18(16,17)7-2-3-8(9(13)6-7)12-10(14)4-5-11(12)15/h2-3,6,12H,4-5H2,1H3