(4-octoxyphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-heptyl-phenyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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