[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C18H17BrO5S MolecularWeight: 425.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H17BrO5S/c1-13-2-8-16(9-3-13)25(22,23)11-10-18(21)24-12-17(20)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3