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

Systemtic Name: [2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 3-phenylpropanoate Openeye Name: [2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic 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] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C26H21BrO6 MolecularWeight: 509.34534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)CCC4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)CCC4=CC=CC=C4)Br)OC

InChI

InChI=1S/C26H21BrO6/c1-30-21-15-17(14-19(27)25(21)31-2)24-26(23(29)18-10-6-7-11-20(18)32-24)33-22(28)13-12-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3