[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] benzoate

Systemtic Name: [2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] benzoate Openeye Name: [2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl] benzoate CAS Name: benzoic acid [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl] benzoate Traditional Name: benzoic acid [2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C24H17BrO6 MolecularWeight: 481.29218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C24H17BrO6/c1-28-19-13-15(12-17(25)22(19)29-2)21-23(31-24(27)14-8-4-3-5-9-14)20(26)16-10-6-7-11-18(16)30-21/h3-13H,1-2H3