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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)CCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)CCCCCCC)F)F)F

InChI

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