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

Systemtic Name: [2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-(3-fluoranyl-4-octyl-phenyl)benzoate Openeye Name: (2,3-difluoro-4-heptoxy-phenyl) 4-(3-fluoro-4-octyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octylphenyl)benzoic acid (2,3-difluoro-4-heptoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-heptoxyphenyl) 4-(3-fluoro-4-octylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octyl-phenyl)benzoic acid (2,3-difluoro-4-heptoxy-phenyl) ester Formula: C34H41F3O3 MolecularWeight: 554.68275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCCCCC)F)F)F

InChI

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