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

Systemtic Name: 3-[4-[3-(4-fluorophenyl)sulfonyl-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]propanoic acid CAS Name: 3-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3,5-dimethylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-3,5-dimethylphenyl]propanoic acid Traditional Name: 3-[4-[3-(4-fluorophenyl)sulfonyl-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]propionic acid Formula: C23H21FO6S MolecularWeight: 444.472643

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21FO6S/c1-14-11-16(3-10-22(26)27)12-15(2)23(14)30-18-6-9-20(25)21(13-18)31(28,29)19-7-4-17(24)5-8-19/h4-9,11-13,25H,3,10H2,1-2H3,(H,26,27)