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

Systemtic Name: 6-bromanyl-3-oxidanyl-2-(2-phenylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-hydroxy-2-(2-phenylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-3-hydroxy-2-[2-(phenylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-hydroxy-2-(2-phenylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-3-hydroxy-2-[2-(phenylthio)phenyl]cinchoninic acid Formula: C22H14BrNO3S MolecularWeight: 452.32046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2C3=C(C(=C4C=C(C=CC4=N3)Br)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2C3=C(C(=C4C=C(C=CC4=N3)Br)C(=O)O)O

InChI

InChI=1S/C22H14BrNO3S/c23-13-10-11-17-16(12-13)19(22(26)27)21(25)20(24-17)15-8-4-5-9-18(15)28-14-6-2-1-3-7-14/h1-12,25H,(H,26,27)