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

Systemtic Name: [2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-(3-fluoranyl-4-heptyl-phenyl)benzoate Openeye Name: (2,3-difluoro-4-heptoxy-phenyl) 4-(3-fluoro-4-heptyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-heptylphenyl)benzoic acid (2,3-difluoro-4-heptoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-heptoxyphenyl) 4-(3-fluoro-4-heptylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-heptyl-phenyl)benzoic acid (2,3-difluoro-4-heptoxy-phenyl) ester Formula: C33H39F3O3 MolecularWeight: 540.65617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCC1=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/C33H39F3O3/c1-3-5-7-9-11-13-25-16-19-27(23-28(25)34)24-14-17-26(18-15-24)33(37)39-30-21-20-29(31(35)32(30)36)38-22-12-10-8-6-4-2/h14-21,23H,3-13,22H2,1-2H3