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

Systemtic Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3,5-dimethylphenyl]thio]acetic acid IUPAC Name: 2-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3,5-dimethylphenyl]sulfanylacetic acid Traditional Name: 2-[[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]thio]acetic acid Formula: C22H19FO6S2 MolecularWeight: 462.511063

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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)SCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19FO6S2/c1-13-9-17(30-12-21(25)26)10-14(2)22(13)29-16-5-8-19(24)20(11-16)31(27,28)18-6-3-15(23)4-7-18/h3-11,24H,12H2,1-2H3,(H,25,26)