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

Systemtic Name: methyl 2-[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: methyl 2-[2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl]oxyacetate CAS Name: 2-[[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl]oxyacetic acid methyl ester Formula: C20H17BrO7 MolecularWeight: 449.24878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrO7/c1-24-15-9-11(8-13(21)19(15)26-3)18-20(27-10-16(22)25-2)17(23)12-6-4-5-7-14(12)28-18/h4-9H,10H2,1-3H3