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

Systemtic Name: (4-heptoxyphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-heptyl-phenyl)benzoate Openeye Name: (4-heptoxyphenyl) 2,3-difluoro-4-(3-fluoro-4-heptyl-phenyl)benzoate CAS Name: 2,3-difluoro-4-(3-fluoro-4-heptylphenyl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 2,3-difluoro-4-(3-fluoro-4-heptylphenyl)benzoate Traditional Name: 2,3-difluoro-4-(3-fluoro-4-heptyl-phenyl)benzoic acid (4-heptoxyphenyl) ester Formula: C33H39F3O3 MolecularWeight: 540.65617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H39F3O3/c1-3-5-7-9-11-13-24-14-15-25(23-30(24)34)28-20-21-29(32(36)31(28)35)33(37)39-27-18-16-26(17-19-27)38-22-12-10-8-6-4-2/h14-21,23H,3-13,22H2,1-2H3