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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate Openeye Name: (2-fluoro-4-octyl-phenyl) 4-(2,3-difluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-octoxyphenyl)benzoic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 4-(2,3-difluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(2,3-difluoro-4-octoxy-phenyl)benzoic acid (2-fluoro-4-octyl-phenyl) ester Formula: C35H43F3O3 MolecularWeight: 568.70933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F)F

InChI

InChI=1S/C35H43F3O3/c1-3-5-7-9-11-13-15-26-16-22-31(30(36)25-26)41-35(39)28-19-17-27(18-20-28)29-21-23-32(34(38)33(29)37)40-24-14-12-10-8-6-4-2/h16-23,25H,3-15,24H2,1-2H3