(4-octylphenyl) 2,3-bis(fluoranyl)-4-(2-fluoranyloctoxy)benzoate

Systemtic Name: (4-octylphenyl) 2,3-bis(fluoranyl)-4-(2-fluoranyloctoxy)benzoate Openeye Name: (4-octylphenyl) 2,3-difluoro-4-(2-fluorooctoxy)benzoate CAS Name: 2,3-difluoro-4-(2-fluorooctoxy)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2,3-difluoro-4-(2-fluorooctoxy)benzoate Traditional Name: 2,3-difluoro-4-(2-fluorooctoxy)benzoic acid (4-octylphenyl) ester Formula: C29H39F3O3 MolecularWeight: 492.61337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)OCC(CCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)OCC(CCCCCC)F)F)F

InChI

InChI=1S/C29H39F3O3/c1-3-5-7-9-10-11-13-22-15-17-24(18-16-22)35-29(33)25-19-20-26(28(32)27(25)31)34-21-23(30)14-12-8-6-4-2/h15-20,23H,3-14,21H2,1-2H3