4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-2-fluoranyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-2-fluoranyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-fluoro-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-fluorophenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-fluorophenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-fluoro-phenyl]-4-keto-butyric acid Formula: C24H27FO6S MolecularWeight: 462.530983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC(=C(C=C2)C(=O)CCC(=O)O)F

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC(=C(C=C2)C(=O)CCC(=O)O)F

InChI

InChI=1S/C24H27FO6S/c1-3-5-19-22(10-8-17(15(2)26)24(19)30)31-12-4-13-32-16-6-7-18(20(25)14-16)21(27)9-11-23(28)29/h6-8,10,14,30H,3-5,9,11-13H2,1-2H3,(H,28,29)