4-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]butanoic acid

Systemtic Name: 4-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)sulfanyl]butanoic acid Openeye Name: 4-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]butanoic acid CAS Name: 4-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)thio]butanoic acid IUPAC Name: 4-[(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)sulfanyl]butanoic acid Traditional Name: 4-[(7-chloro-2-hydroxy-4-keto-1H-quinolin-3-yl)thio]butyric acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=C(C2=O)SCCCC(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)NC(=C(C2=O)SCCCC(=O)O)O

InChI

InChI=1S/C13H12ClNO4S/c14-7-3-4-8-9(6-7)15-13(19)12(11(8)18)20-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H,16,17)(H2,15,18,19)