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

Systemtic Name: 3-[4-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3,5-dimethylphenyl]thio]propanoic acid IUPAC Name: 3-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3,5-dimethylphenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]thio]propionic acid Formula: C23H21FO6S2 MolecularWeight: 476.537643

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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)SCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21FO6S2/c1-14-11-18(31-10-9-22(26)27)12-15(2)23(14)30-17-5-8-20(25)21(13-17)32(28,29)19-6-3-16(24)4-7-19/h3-8,11-13,25H,9-10H2,1-2H3,(H,26,27)