(4-nonylphenyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate

Systemtic Name: (4-nonylphenyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate Openeye Name: (4-nonylphenyl) 4-(2,3-difluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-octoxyphenyl)benzoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 4-(2,3-difluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(2,3-difluoro-4-octoxy-phenyl)benzoic acid (4-nonylphenyl) ester Formula: C36H46F2O3 MolecularWeight: 564.745446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

InChI

InChI=1S/C36H46F2O3/c1-3-5-7-9-11-12-14-16-28-17-23-31(24-18-28)41-36(39)30-21-19-29(20-22-30)32-25-26-33(35(38)34(32)37)40-27-15-13-10-8-6-4-2/h17-26H,3-16,27H2,1-2H3