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

Systemtic Name: 4-(4-bromanyl-3,5-dimethoxy-phenyl)-6,7-dimethoxy-3-oxidanyl-1-oxidanylidene-4H-isochromene-3-carboxylic acid Openeye Name: 4-(4-bromo-3,5-dimethoxy-phenyl)-3-hydroxy-6,7-dimethoxy-1-oxo-isochromane-3-carboxylic acid CAS Name: 4-(4-bromo-3,5-dimethoxyphenyl)-3-hydroxy-6,7-dimethoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(4-bromo-3,5-dimethoxyphenyl)-3-hydroxy-6,7-dimethoxy-1-oxo-4H-isochromene-3-carboxylic acid Traditional Name: 4-(4-bromo-3,5-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=CC(=CC(=C1Br)OC)C2C3=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2C3=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OC)OC

InChI

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