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

Systemtic Name: (4-pentylphenyl) 2,3-bis(fluoranyl)-4-(4-pentylphenyl)benzoate Openeye Name: (4-pentylphenyl) 2,3-difluoro-4-(4-pentylphenyl)benzoate CAS Name: 2,3-difluoro-4-(4-pentylphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2,3-difluoro-4-(4-pentylphenyl)benzoate Traditional Name: 4-(4-amylphenyl)-2,3-difluoro-benzoic acid (4-amylphenyl) ester Formula: C29H32F2O2 MolecularWeight: 450.559986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F)F

InChI

InChI=1S/C29H32F2O2/c1-3-5-7-9-21-11-15-23(16-12-21)25-19-20-26(28(31)27(25)30)29(32)33-24-17-13-22(14-18-24)10-8-6-4-2/h11-20H,3-10H2,1-2H3