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

Systemtic Name: [2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] oxolane-2-carboxylate Openeye Name: [2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl] tetrahydrofuran-2-carboxylate CAS Name: 2-oxolanecarboxylic 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] oxolane-2-carboxylate Traditional Name: tetrahydrofuran-2-carboxylic acid [2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C22H19BrO7 MolecularWeight: 475.28606

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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)C4CCCO4)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4CCCO4)Br)OC

InChI

InChI=1S/C22H19BrO7/c1-26-17-11-12(10-14(23)20(17)27-2)19-21(30-22(25)16-8-5-9-28-16)18(24)13-6-3-4-7-15(13)29-19/h3-4,6-7,10-11,16H,5,8-9H2,1-2H3