[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C17H15BrO3 MolecularWeight: 347.2032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO3/c1-11-6-7-14(8-12(11)2)17(20)21-10-16(19)13-4-3-5-15(18)9-13/h3-9H,10H2,1-2H3