2-[4-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3,5-dimethylphenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3,5-dimethylphenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]thio]-2-methyl-propionic acid Formula: C24H23FO6S2 MolecularWeight: 490.564223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)F)C)SC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)F)C)SC(C)(C)C(=O)O

InChI

InChI=1S/C24H23FO6S2/c1-14-11-18(32-24(3,4)23(27)28)12-15(2)22(14)31-17-7-10-20(26)21(13-17)33(29,30)19-8-5-16(25)6-9-19/h5-13,26H,1-4H3,(H,27,28)