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

Systemtic Name: 4-[3,5-bis(bromanyl)-4-methoxy-phenyl]-6,7-dimethoxy-3-oxidanyl-1-oxidanylidene-4H-isochromene-3-carboxylic acid Openeye Name: 4-(3,5-dibromo-4-methoxy-phenyl)-3-hydroxy-6,7-dimethoxy-1-oxo-isochromane-3-carboxylic acid CAS Name: 4-(3,5-dibromo-4-methoxyphenyl)-3-hydroxy-6,7-dimethoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(3,5-dibromo-4-methoxyphenyl)-3-hydroxy-6,7-dimethoxy-1-oxo-4H-isochromene-3-carboxylic acid Traditional Name: 4-(3,5-dibromo-4-methoxy-phenyl)-3-hydroxy-1-keto-6,7-dimethoxy-isochroman-3-carboxylic acid Formula: C19H16Br2O8 MolecularWeight: 532.13354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(OC2=O)(C(=O)O)O)C3=CC(=C(C(=C3)Br)OC)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(C(OC2=O)(C(=O)O)O)C3=CC(=C(C(=C3)Br)OC)Br)OC

InChI

InChI=1S/C19H16Br2O8/c1-26-13-6-9-10(7-14(13)27-2)17(22)29-19(25,18(23)24)15(9)8-4-11(20)16(28-3)12(21)5-8/h4-7,15,25H,1-3H3,(H,23,24)