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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfonyl-3-fluoranyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfonyl-3-fluoro-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfonyl-3-fluorophenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfonyl-3-fluorophenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfonyl-3-fluoro-phenyl]-4-keto-butyric acid Formula: C24H27FO9S MolecularWeight: 510.529183

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CS(=O)(=O)C2=C(C=C(C=C2)C(=O)CCC(=O)O)F)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CS(=O)(=O)C2=C(C=C(C=C2)C(=O)CCC(=O)O)F)O

InChI

InChI=1S/C24H27FO9S/c1-3-4-18-21(8-6-17(14(2)26)24(18)31)34-12-16(27)13-35(32,33)22-9-5-15(11-19(22)25)20(28)7-10-23(29)30/h5-6,8-9,11,16,27,31H,3-4,7,10,12-13H2,1-2H3,(H,29,30)