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

Systemtic Name: 4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfonyl-3-fluoranyl-benzoic acid Openeye Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfonyl-3-fluoro-benzoic acid CAS Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfonyl-3-fluorobenzoic acid IUPAC Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfonyl-3-fluorobenzoic acid Traditional Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfonyl-3-fluoro-benzoic acid Formula: C21H23FO8S MolecularWeight: 454.465923

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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)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)O)F)O

InChI

InChI=1S/C21H23FO8S/c1-3-4-16-18(7-6-15(12(2)23)20(16)25)30-10-14(24)11-31(28,29)19-8-5-13(21(26)27)9-17(19)22/h5-9,14,24-25H,3-4,10-11H2,1-2H3,(H,26,27)