5-[2-methyl-4-[3-[3-methyl-4-[(E)-4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenoxy]pentanoic acid

Systemtic Name: 5-[2-methyl-4-[3-[3-methyl-4-[(E)-4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenoxy]pentanoic acid Openeye Name: 5-[4-[1-ethyl-1-[3-methyl-4-[(E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]propyl]-2-methyl-phenoxy]pentanoic acid CAS Name: 5-[2-methyl-4-[3-[3-methyl-4-[(E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenoxy]pentanoic acid IUPAC Name: 5-[2-methyl-4-[3-[3-methyl-4-[(E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenoxy]pentanoic acid Traditional Name: 5-[4-[1-ethyl-1-[3-methyl-4-[(E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]propyl]-2-methyl-phenoxy]valeric acid Formula: C29H34F6O4 MolecularWeight: 560.568279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)C=CC(C(F)(F)F)(C(F)(F)F)O)C)C2=CC(=C(C=C2)OCCCCC(=O)O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)/C=C/C(C(F)(F)F)(C(F)(F)F)O)C)C2=CC(=C(C=C2)OCCCCC(=O)O)C

InChI

InChI=1S/C29H34F6O4/c1-5-26(6-2,23-12-13-24(20(4)18-23)39-16-8-7-9-25(36)37)22-11-10-21(19(3)17-22)14-15-27(38,28(30,31)32)29(33,34)35/h10-15,17-18,38H,5-9,16H2,1-4H3,(H,36,37)/b15-14+