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

Systemtic Name: [2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 3,4-dimethoxybenzoate Openeye Name: [2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C26H21BrO8 MolecularWeight: 541.34414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Br)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Br)OC)OC)OC

InChI

InChI=1S/C26H21BrO8/c1-30-19-10-9-14(12-20(19)31-2)26(29)35-25-22(28)16-7-5-6-8-18(16)34-23(25)15-11-17(27)24(33-4)21(13-15)32-3/h5-13H,1-4H3