[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-methylbutanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-methylbutanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CC(=O)OCC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H15BrO3/c1-9(2)7-13(16)17-8-12(15)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3