(4-heptylphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-pentyl-phenyl)benzoate

Systemtic Name: (4-heptylphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-pentyl-phenyl)benzoate Openeye Name: (4-heptylphenyl) 2,3-difluoro-4-(3-fluoro-4-pentyl-phenyl)benzoate CAS Name: 2,3-difluoro-4-(3-fluoro-4-pentylphenyl)benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2,3-difluoro-4-(3-fluoro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-3-fluoro-phenyl)-2,3-difluoro-benzoic acid (4-heptylphenyl) ester Formula: C31H35F3O2 MolecularWeight: 496.60361

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C31H35F3O2/c1-3-5-7-8-10-11-22-13-17-25(18-14-22)36-31(35)27-20-19-26(29(33)30(27)34)24-16-15-23(28(32)21-24)12-9-6-4-2/h13-21H,3-12H2,1-2H3