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

Systemtic Name: 4-[(4-fluorophenyl)methyl]-2-iodanyl-3-oxidanyl-quinoline-5,8-dicarboxylic acid Openeye Name: 4-[(4-fluorophenyl)methyl]-3-hydroxy-2-iodo-quinoline-5,8-dicarboxylic acid CAS Name: 4-[(4-fluorophenyl)methyl]-3-hydroxy-2-iodoquinoline-5,8-dicarboxylic acid IUPAC Name: 4-[(4-fluorophenyl)methyl]-3-hydroxy-2-iodoquinoline-5,8-dicarboxylic acid Traditional Name: 4-(4-fluorobenzyl)-3-hydroxy-2-iodo-quinoline-5,8-dicarboxylic acid Formula: C18H11FINO5 MolecularWeight: 467.186513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C(=NC3=C(C=CC(=C23)C(=O)O)C(=O)O)I)O)F

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C(=NC3=C(C=CC(=C23)C(=O)O)C(=O)O)I)O)F

InChI

InChI=1S/C18H11FINO5/c19-9-3-1-8(2-4-9)7-12-13-10(17(23)24)5-6-11(18(25)26)14(13)21-16(20)15(12)22/h1-6,22H,7H2,(H,23,24)(H,25,26)