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

Systemtic Name: (4-octylphenyl) 2,3-bis(fluoranyl)-4-heptyl-benzoate Openeye Name: (4-octylphenyl) 2,3-difluoro-4-heptyl-benzoate CAS Name: 2,3-difluoro-4-heptylbenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2,3-difluoro-4-heptylbenzoate Traditional Name: 2,3-difluoro-4-heptyl-benzoic acid (4-octylphenyl) ester Formula: C28H38F2O2 MolecularWeight: 444.596926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)CCCCCCC)F)F

InChI

InChI=1S/C28H38F2O2/c1-3-5-7-9-11-12-14-22-16-19-24(20-17-22)32-28(31)25-21-18-23(26(29)27(25)30)15-13-10-8-6-4-2/h16-21H,3-15H2,1-2H3