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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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