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

Systemtic Name: [2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-(3-fluoranyl-4-heptyl-phenyl)benzoate Openeye Name: (2,3-difluoro-4-octoxy-phenyl) 4-(3-fluoro-4-heptyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-heptylphenyl)benzoic acid (2,3-difluoro-4-octoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-octoxyphenyl) 4-(3-fluoro-4-heptylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-heptyl-phenyl)benzoic acid (2,3-difluoro-4-octoxy-phenyl) ester Formula: C34H41F3O3 MolecularWeight: 554.68275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H41F3O3/c1-3-5-7-9-11-13-23-39-30-21-22-31(33(37)32(30)36)40-34(38)27-18-15-25(16-19-27)28-20-17-26(29(35)24-28)14-12-10-8-6-4-2/h15-22,24H,3-14,23H2,1-2H3