[3-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2-bromanylbenzoate

Systemtic Name: [3-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2-bromanylbenzoate Openeye Name: [3-oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzofuran-6-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-keto-2-(2,4,5-trimethoxybenzylidene)coumaran-6-yl] ester Formula: C25H19BrO7 MolecularWeight: 511.31816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4Br)OC)OC

InChI

InChI=1S/C25H19BrO7/c1-29-19-13-22(31-3)21(30-2)10-14(19)11-23-24(27)17-9-8-15(12-20(17)33-23)32-25(28)16-6-4-5-7-18(16)26/h4-13H,1-3H3