[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C15H13BrO4S MolecularWeight: 369.23032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrO4S/c1-11-2-8-14(9-3-11)21(18,19)20-10-15(17)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3