(4-heptoxyphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-octyl-phenyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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