3-[4-[3-(4-chloranyl-2-phenoxy-phenoxy)-5-fluoranyl-phenoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-chloranyl-2-phenoxy-phenoxy)-5-fluoranyl-phenoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-chloro-2-phenoxy-phenoxy)-5-fluoro-phenoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-(4-chloro-2-phenoxyphenoxy)-5-fluorophenoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-chloro-2-phenoxyphenoxy)-5-fluorophenoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(4-chloro-2-phenoxy-phenoxy)-5-fluoro-phenoxy]-2-methyl-phenyl]propionic acid Formula: C28H22ClFO5 MolecularWeight: 492.922683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)F)OC3=C(C=C(C=C3)Cl)OC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)F)OC3=C(C=C(C=C3)Cl)OC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C28H22ClFO5/c1-18-13-23(10-7-19(18)8-12-28(31)32)33-24-15-21(30)16-25(17-24)35-26-11-9-20(29)14-27(26)34-22-5-3-2-4-6-22/h2-7,9-11,13-17H,8,12H2,1H3,(H,31,32)