(4-heptylphenyl) 2,3-bis(fluoranyl)-4-(4-pentylphenyl)benzoate

Systemtic Name: (4-heptylphenyl) 2,3-bis(fluoranyl)-4-(4-pentylphenyl)benzoate Openeye Name: (4-heptylphenyl) 2,3-difluoro-4-(4-pentylphenyl)benzoate CAS Name: 2,3-difluoro-4-(4-pentylphenyl)benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2,3-difluoro-4-(4-pentylphenyl)benzoate Traditional Name: 4-(4-amylphenyl)-2,3-difluoro-benzoic acid (4-heptylphenyl) ester Formula: C31H36F2O2 MolecularWeight: 478.613146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCCC)F)F

InChI

InChI=1S/C31H36F2O2/c1-3-5-7-8-10-12-24-15-19-26(20-16-24)35-31(34)28-22-21-27(29(32)30(28)33)25-17-13-23(14-18-25)11-9-6-4-2/h13-22H,3-12H2,1-2H3