[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H15BrO5S MolecularWeight: 411.267

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H15BrO5S/c1-24(21,22)11-12-3-2-4-14(9-12)17(20)23-10-16(19)13-5-7-15(18)8-6-13/h2-9H,10-11H2,1H3