2-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(5-chloro-2-hydroxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(5-chloro-2-hydroxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]thio]acetic acid Formula: C18H11ClF3NO4S MolecularWeight: 429.79745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)C(=C(C(=O)N2)SCC(=O)O)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=C(C(=O)N2)SCC(=O)O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C18H11ClF3NO4S/c19-9-2-4-13(24)11(6-9)15-10-5-8(18(20,21)22)1-3-12(10)23-17(27)16(15)28-7-14(25)26/h1-6,24H,7H2,(H,23,27)(H,25,26)