[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C17H15BrO3 MolecularWeight: 347.2032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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