methyl 1,7-bis(bromanyl)-4-(bromomethyl)-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-carboxylate

Systemtic Name: methyl 1,7-bis(bromanyl)-4-(bromomethyl)-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-carboxylate Openeye Name: methyl 1,7-dibromo-4-(bromomethyl)-6-hydroxy-3-oxo-1H-isobenzofuran-5-carboxylate CAS Name: 1,7-dibromo-4-(bromomethyl)-6-hydroxy-3-oxo-1H-isobenzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl 1,7-dibromo-4-(bromomethyl)-6-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate Traditional Name: 1,7-dibromo-4-(bromomethyl)-6-hydroxy-3-keto-phthalan-5-carboxylic acid methyl ester Formula: C11H7Br3O5 MolecularWeight: 458.88228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C(OC2=O)Br)C(=C1O)Br)CBr

Isomeric SMILES

COC(=O)C1=C(C2=C(C(OC2=O)Br)C(=C1O)Br)CBr

InChI

InChI=1S/C11H7Br3O5/c1-18-10(16)5-3(2-12)4-6(7(13)8(5)15)9(14)19-11(4)17/h9,15H,2H2,1H3