[2,3-bis(fluoranyl)-4-nonoxy-phenyl] 4-(3-fluoranyl-4-octoxy-phenyl)benzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-nonoxy-phenyl] 4-(3-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: (2,3-difluoro-4-nonoxy-phenyl) 4-(3-fluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octoxyphenyl)benzoic acid (2,3-difluoro-4-nonoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-nonoxyphenyl) 4-(3-fluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octoxy-phenyl)benzoic acid (2,3-difluoro-4-nonoxy-phenyl) ester Formula: C36H45F3O4 MolecularWeight: 598.73531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCCCC)F)F)F

InChI

InChI=1S/C36H45F3O4/c1-3-5-7-9-11-13-15-25-42-32-22-23-33(35(39)34(32)38)43-36(40)28-18-16-27(17-19-28)29-20-21-31(30(37)26-29)41-24-14-12-10-8-6-4-2/h16-23,26H,3-15,24-25H2,1-2H3