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

Systemtic Name: methyl 4-[[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl]oxymethyl]benzoate CAS Name: 4-[[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl]oxymethyl]benzoate Traditional Name: 4-[[2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl]oxymethyl]benzoic acid methyl ester Formula: C26H21BrO7 MolecularWeight: 525.34474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC4=CC=C(C=C4)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC4=CC=C(C=C4)C(=O)OC)Br)OC

InChI

InChI=1S/C26H21BrO7/c1-30-21-13-17(12-19(27)24(21)31-2)23-25(22(28)18-6-4-5-7-20(18)34-23)33-14-15-8-10-16(11-9-15)26(29)32-3/h4-13H,14H2,1-3H3