2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(8-hydroxy-5-quinolyl)methylsulfanyl]benzoic acid CAS Name: 2-[(8-hydroxy-5-quinolinyl)methylthio]benzoic acid IUPAC Name: 2-[(8-hydroxyquinolin-5-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(8-hydroxy-5-quinolyl)methylthio]benzoic acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=C3C=CC=NC3=C(C=C2)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C17H13NO3S/c19-14-8-7-11(12-5-3-9-18-16(12)14)10-22-15-6-2-1-4-13(15)17(20)21/h1-9,19H,10H2,(H,20,21)