2-[4-[(E)-3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)prop-1-enyl]sulfonyl-2-fluoranyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)prop-1-enyl]sulfonyl-2-fluoranyl-phenyl]ethanoic acid Openeye Name: 2-[4-[(E)-3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)prop-1-enyl]sulfonyl-2-fluoro-phenyl]acetic acid CAS Name: 2-[4-[(E)-3-(4-acetyl-3-hydroxy-2-propylphenoxy)prop-1-enyl]sulfonyl-2-fluorophenyl]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-acetyl-3-hydroxy-2-propylphenoxy)prop-1-enyl]sulfonyl-2-fluorophenyl]acetic acid Traditional Name: 2-[4-[(E)-3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)prop-1-enyl]sulfonyl-2-fluoro-phenyl]acetic acid Formula: C22H23FO7S MolecularWeight: 450.477223

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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

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC/C=C/S(=O)(=O)C2=CC(=C(C=C2)CC(=O)O)F

InChI

InChI=1S/C22H23FO7S/c1-3-5-18-20(9-8-17(14(2)24)22(18)27)30-10-4-11-31(28,29)16-7-6-15(12-21(25)26)19(23)13-16/h4,6-9,11,13,27H,3,5,10,12H2,1-2H3,(H,25,26)/b11-4+