5-propoxypentan-2-yl 2-fluoranyl-4-[4-(4-octoxyphenyl)phenyl]carbonyloxy-benzoate

Systemtic Name: 5-propoxypentan-2-yl 2-fluoranyl-4-[4-(4-octoxyphenyl)phenyl]carbonyloxy-benzoate Openeye Name: (1-methyl-4-propoxy-butyl) 2-fluoro-4-[4-(4-octoxyphenyl)benzoyl]oxy-benzoate CAS Name: 2-fluoro-4-[[4-(4-octoxyphenyl)phenyl]-oxomethoxy]benzoic acid 5-propoxypentan-2-yl ester IUPAC Name: 5-propoxypentan-2-yl 2-fluoro-4-[4-(4-octoxyphenyl)benzoyl]oxybenzoate Traditional Name: 2-fluoro-4-[4-(4-octoxyphenyl)benzoyl]oxy-benzoic acid (1-methyl-4-propoxy-butyl) ester Formula: C36H45FO6 MolecularWeight: 592.737303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC(C)CCCOCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC(C)CCCOCCC)F

InChI

InChI=1S/C36H45FO6/c1-4-6-7-8-9-10-25-41-31-19-17-29(18-20-31)28-13-15-30(16-14-28)35(38)43-32-21-22-33(34(37)26-32)36(39)42-27(3)12-11-24-40-23-5-2/h13-22,26-27H,4-12,23-25H2,1-3H3