methyl 2-[3-[3-(4-bromanyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoranyl-benzoate

Systemtic Name: methyl 2-[3-[3-(4-bromanyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoranyl-benzoate Openeye Name: methyl 2-[3-[3-(4-bromo-2-ethyl-5-hydroxy-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoro-benzoate CAS Name: 2-[3-[3-(4-bromo-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-(4-bromo-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]-6-fluorobenzoate Traditional Name: 2-[3-[3-(4-bromo-2-ethyl-5-hydroxy-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoro-benzoic acid methyl ester Formula: C28H30BrFO6 MolecularWeight: 561.436603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)Br)O)OC3=C(C(=CC=C3)F)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)Br)O)OC3=C(C(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C28H30BrFO6/c1-4-9-19-23(34-14-8-15-35-26-17-22(31)20(29)16-18(26)5-2)11-7-12-24(19)36-25-13-6-10-21(30)27(25)28(32)33-3/h6-7,10-13,16-17,31H,4-5,8-9,14-15H2,1-3H3