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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]-3-fluoranyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-3-fluoro-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]-3-fluorophenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]-3-fluorophenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-3-fluoro-phenyl]-4-keto-butyric acid Formula: C24H27FO8S MolecularWeight: 494.529783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FO8S/c1-3-5-18-21(9-7-17(15(2)26)24(18)30)33-12-4-13-34(31,32)22-10-6-16(14-19(22)25)20(27)8-11-23(28)29/h6-7,9-10,14,30H,3-5,8,11-13H2,1-2H3,(H,28,29)