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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(2-phenylethynyl)benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(2-phenylethynyl)benzoate CAS Name: 3-(2-phenylethynyl)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(2-phenylethynyl)benzoate Traditional Name: 3-(2-phenylethynyl)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C23H15BrO3 MolecularWeight: 419.2674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H15BrO3/c24-21-13-11-19(12-14-21)22(25)16-27-23(26)20-8-4-7-18(15-20)10-9-17-5-2-1-3-6-17/h1-8,11-15H,16H2