4-[(2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]butanoic acid

Systemtic Name: 4-[(2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]butanoic acid Openeye Name: 4-[(2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]butanoic acid CAS Name: 4-[(2-hydroxy-4-oxo-1H-quinolin-3-yl)thio]butanoic acid IUPAC Name: 4-[(2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]butanoic acid Traditional Name: 4-[(2-hydroxy-4-keto-1H-quinolin-3-yl)thio]butyric acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(N2)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(N2)O)SCCCC(=O)O

InChI

InChI=1S/C13H13NO4S/c15-10(16)6-3-7-19-12-11(17)8-4-1-2-5-9(8)14-13(12)18/h1-2,4-5H,3,6-7H2,(H,15,16)(H2,14,17,18)