(2-ethanoyl-5-methyl-phenyl) 5-bromanylthiophene-2-sulfonate

Systemtic Name: (2-ethanoyl-5-methyl-phenyl) 5-bromanylthiophene-2-sulfonate Openeye Name: (2-acetyl-5-methyl-phenyl) 5-bromothiophene-2-sulfonate CAS Name: 5-bromo-2-thiophenesulfonic acid (2-acetyl-5-methylphenyl) ester IUPAC Name: (2-acetyl-5-methylphenyl) 5-bromothiophene-2-sulfonate Traditional Name: 5-bromothiophene-2-sulfonic acid (2-acetyl-5-methyl-phenyl) ester Formula: C13H11BrO4S2 MolecularWeight: 375.25804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C)OS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C)OS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H11BrO4S2/c1-8-3-4-10(9(2)15)11(7-8)18-20(16,17)13-6-5-12(14)19-13/h3-7H,1-2H3