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

Systemtic Name: 2-[4-[5-(4-chloranyl-3-fluoranyl-phenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[5-(4-chloro-3-fluoro-phenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[5-(4-chloro-3-fluorophenyl)pent-4-ynoxy]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[5-(4-chloro-3-fluorophenyl)pent-4-ynoxy]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[5-(4-chloro-3-fluoro-phenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C22H22ClFO4 MolecularWeight: 404.859083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC#CC2=CC(=C(C=C2)Cl)F)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC#CC2=CC(=C(C=C2)Cl)F)OC(C)(C)C(=O)O

InChI

InChI=1S/C22H22ClFO4/c1-15-13-17(9-11-20(15)28-22(2,3)21(25)26)27-12-6-4-5-7-16-8-10-18(23)19(24)14-16/h8-11,13-14H,4,6,12H2,1-3H3,(H,25,26)