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

Systemtic Name: (2-fluoranyl-4-octoxy-phenyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate Openeye Name: (2-fluoro-4-octoxy-phenyl) 4-(2,3-difluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-octoxyphenyl)benzoic acid (2-fluoro-4-octoxyphenyl) ester IUPAC Name: (2-fluoro-4-octoxyphenyl) 4-(2,3-difluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(2,3-difluoro-4-octoxy-phenyl)benzoic acid (2-fluoro-4-octoxy-phenyl) ester Formula: C35H43F3O4 MolecularWeight: 584.70873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H43F3O4/c1-3-5-7-9-11-13-23-40-28-19-21-31(30(36)25-28)42-35(39)27-17-15-26(16-18-27)29-20-22-32(34(38)33(29)37)41-24-14-12-10-8-6-4-2/h15-22,25H,3-14,23-24H2,1-2H3