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

Systemtic Name: 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfonyl-2-fluoranyl-phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfonyl-2-fluoro-phenyl]acetic acid CAS Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfonyl-2-fluorophenyl]acetic acid IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfonyl-2-fluorophenyl]acetic acid Traditional Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfonyl-2-fluoro-phenyl]acetic acid Formula: C22H25FO8S MolecularWeight: 468.492503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FO8S/c1-3-4-18-20(8-7-17(13(2)24)22(18)28)31-11-15(25)12-32(29,30)16-6-5-14(9-21(26)27)19(23)10-16/h5-8,10,15,25,28H,3-4,9,11-12H2,1-2H3,(H,26,27)