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

Systemtic Name: 4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]-3-fluoranyl-benzoic acid Openeye Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-3-fluoro-benzoic acid CAS Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]-3-fluorobenzoic acid IUPAC Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]-3-fluorobenzoic acid Traditional Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-3-fluoro-benzoic acid Formula: C21H23FO7S MolecularWeight: 438.466523

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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)O)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23FO7S/c1-3-5-16-18(8-7-15(13(2)23)20(16)24)29-10-4-11-30(27,28)19-9-6-14(21(25)26)12-17(19)22/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,25,26)