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

Systemtic Name: (4-heptylphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-heptyl-phenyl)benzoate Openeye Name: (4-heptylphenyl) 2,3-difluoro-4-(3-fluoro-4-heptyl-phenyl)benzoate CAS Name: 2,3-difluoro-4-(3-fluoro-4-heptylphenyl)benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2,3-difluoro-4-(3-fluoro-4-heptylphenyl)benzoate Traditional Name: 2,3-difluoro-4-(3-fluoro-4-heptyl-phenyl)benzoic acid (4-heptylphenyl) ester Formula: C33H39F3O2 MolecularWeight: 524.65677

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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)CCCCCCC)F)F)F

Isomeric SMILES

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

InChI

InChI=1S/C33H39F3O2/c1-3-5-7-9-11-13-24-15-19-27(20-16-24)38-33(37)29-22-21-28(31(35)32(29)36)26-18-17-25(30(34)23-26)14-12-10-8-6-4-2/h15-23H,3-14H2,1-2H3