4,6-bis(bromanyl)-5-[3-(4-fluorophenyl)carbonyl-4-oxidanyl-phenoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4,6-bis(bromanyl)-5-[3-(4-fluorophenyl)carbonyl-4-oxidanyl-phenoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 4,6-dibromo-5-[3-(4-fluorobenzoyl)-4-hydroxy-phenoxy]benzofuran-2-carboxylic acid CAS Name: 4,6-dibromo-5-[3-[(4-fluorophenyl)-oxomethyl]-4-hydroxyphenoxy]-2-benzofurancarboxylic acid IUPAC Name: 4,6-dibromo-5-[3-(4-fluorobenzoyl)-4-hydroxyphenoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 4,6-dibromo-5-[3-(4-fluorobenzoyl)-4-hydroxy-phenoxy]coumarilic acid Formula: C22H11Br2FO6 MolecularWeight: 550.125543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)OC3=C(C=C4C(=C3Br)C=C(O4)C(=O)O)Br)O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)OC3=C(C=C4C(=C3Br)C=C(O4)C(=O)O)Br)O)F

InChI

InChI=1S/C22H11Br2FO6/c23-15-9-17-14(8-18(31-17)22(28)29)19(24)21(15)30-12-5-6-16(26)13(7-12)20(27)10-1-3-11(25)4-2-10/h1-9,26H,(H,28,29)