2-[3-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoranyl-benzoic acid

Systemtic Name: 2-[3-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoranyl-benzoic acid Openeye Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoro-benzoic acid CAS Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-2-propylphenoxy]-6-fluorobenzoic acid IUPAC Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-2-propylphenoxy]-6-fluorobenzoic acid Traditional Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoro-benzoic acid Formula: C33H33FO6 MolecularWeight: 544.609923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CC=CC=C3)CC)OC4=C(C(=CC=C4)F)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CC=CC=C3)CC)OC4=C(C(=CC=C4)F)C(=O)O

InChI

InChI=1S/C33H33FO6/c1-3-11-24-28(15-9-16-29(24)40-30-17-8-14-26(34)32(30)33(36)37)38-18-10-19-39-31-21-27(35)25(20-22(31)4-2)23-12-6-5-7-13-23/h5-9,12-17,20-21,35H,3-4,10-11,18-19H2,1-2H3,(H,36,37)