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

Systemtic Name: 4-(4-bromanyl-3,5-dimethoxy-phenyl)-3-oxidanyl-1-oxidanylidene-7-phenylmethoxy-4H-isochromene-3-carboxylic acid Openeye Name: 7-benzyloxy-4-(4-bromo-3,5-dimethoxy-phenyl)-3-hydroxy-1-oxo-isochromane-3-carboxylic acid CAS Name: 4-(4-bromo-3,5-dimethoxyphenyl)-3-hydroxy-1-oxo-7-phenylmethoxy-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(4-bromo-3,5-dimethoxyphenyl)-3-hydroxy-1-oxo-7-phenylmethoxy-4H-isochromene-3-carboxylic acid Traditional Name: 7-benzoxy-4-(4-bromo-3,5-dimethoxy-phenyl)-3-hydroxy-1-keto-isochroman-3-carboxylic acid Formula: C25H21BrO8 MolecularWeight: 529.33344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=O)OC2(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=O)OC2(C(=O)O)O

InChI

InChI=1S/C25H21BrO8/c1-31-19-10-15(11-20(32-2)22(19)26)21-17-9-8-16(33-13-14-6-4-3-5-7-14)12-18(17)23(27)34-25(21,30)24(28)29/h3-12,21,30H,13H2,1-2H3,(H,28,29)