3-fluoranyl-2-[(4-fluorophenyl)methyl]-4-iodanyl-8-oxidanyl-quinoline-5,7-dicarboxylic acid

Systemtic Name: 3-fluoranyl-2-[(4-fluorophenyl)methyl]-4-iodanyl-8-oxidanyl-quinoline-5,7-dicarboxylic acid Openeye Name: 3-fluoro-2-[(4-fluorophenyl)methyl]-8-hydroxy-4-iodo-quinoline-5,7-dicarboxylic acid CAS Name: 3-fluoro-2-[(4-fluorophenyl)methyl]-8-hydroxy-4-iodoquinoline-5,7-dicarboxylic acid IUPAC Name: 3-fluoro-2-[(4-fluorophenyl)methyl]-8-hydroxy-4-iodoquinoline-5,7-dicarboxylic acid Traditional Name: 3-fluoro-2-(4-fluorobenzyl)-8-hydroxy-4-iodo-quinoline-5,7-dicarboxylic acid Formula: C18H10F2INO5 MolecularWeight: 485.176976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC3=C(C(=CC(=C3O)C(=O)O)C(=O)O)C(=C2F)I)F

Isomeric SMILES

C1=CC(=CC=C1CC2=NC3=C(C(=CC(=C3O)C(=O)O)C(=O)O)C(=C2F)I)F

InChI

InChI=1S/C18H10F2INO5/c19-8-3-1-7(2-4-8)5-11-13(20)14(21)12-9(17(24)25)6-10(18(26)27)16(23)15(12)22-11/h1-4,6,23H,5H2,(H,24,25)(H,26,27)