2-[3-ethyl-4-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-5-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3-ethyl-4-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-5-methyl-phenoxy]ethanoic acid Openeye Name: 2-[3-ethyl-4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-5-methyl-phenoxy]acetic acid CAS Name: 2-[3-ethyl-4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-5-methylphenoxy]acetic acid IUPAC Name: 2-[3-ethyl-4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-5-methylphenoxy]acetic acid Traditional Name: 2-[3-ethyl-4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-5-methyl-phenoxy]acetic acid Formula: C23H21FO7S MolecularWeight: 460.472043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)OCC(=O)O)C)OC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=CC(=C1)OCC(=O)O)C)OC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FO7S/c1-3-15-11-18(30-13-22(26)27)10-14(2)23(15)31-17-6-9-20(25)21(12-17)32(28,29)19-7-4-16(24)5-8-19/h4-12,25H,3,13H2,1-2H3,(H,26,27)