6-fluoranyl-3-oxidanyl-2-(4-phenylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-fluoranyl-3-oxidanyl-2-(4-phenylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-fluoro-3-hydroxy-2-(4-phenylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 6-fluoro-3-hydroxy-2-[4-(phenylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-fluoro-3-hydroxy-2-(4-phenylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-fluoro-3-hydroxy-2-[4-(phenylthio)phenyl]cinchoninic acid Formula: C22H14FNO3S MolecularWeight: 391.414863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)O)O

InChI

InChI=1S/C22H14FNO3S/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(H,26,27)