[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H17BrO5S MolecularWeight: 425.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H17BrO5S/c1-11-4-9-15(25(3,22)23)10-16(11)18(21)24-12(2)17(20)13-5-7-14(19)8-6-13/h4-10,12H,1-3H3