4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-3-oxidanyl-1-oxidanylidene-4H-isochromene-3-carboxylic acid

Systemtic Name: 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-3-oxidanyl-1-oxidanylidene-4H-isochromene-3-carboxylic acid Openeye Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-3-hydroxy-6,7-dimethoxy-1-oxo-isochromane-3-carboxylic acid CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-3-hydroxy-6,7-dimethoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(3-bromo-4,5-dimethoxyphenyl)-3-hydroxy-6,7-dimethoxy-1-oxo-4H-isochromene-3-carboxylic acid Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-3-hydroxy-1-keto-6,7-dimethoxy-isochroman-3-carboxylic acid Formula: C20H19BrO9 MolecularWeight: 483.26346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OC)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OC)OC)Br)OC

InChI

InChI=1S/C20H19BrO9/c1-26-13-7-10-11(8-14(13)27-2)18(22)30-20(25,19(23)24)16(10)9-5-12(21)17(29-4)15(6-9)28-3/h5-8,16,25H,1-4H3,(H,23,24)