(4-hexylphenyl) 4-[2,3-bis(fluoranyl)-4-pentoxy-phenyl]benzoate

Systemtic Name: (4-hexylphenyl) 4-[2,3-bis(fluoranyl)-4-pentoxy-phenyl]benzoate Openeye Name: (4-hexylphenyl) 4-(2,3-difluoro-4-pentoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-pentoxyphenyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 4-(2,3-difluoro-4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxy-2,3-difluoro-phenyl)benzoic acid (4-hexylphenyl) ester Formula: C30H34F2O3 MolecularWeight: 480.585966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCC)F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCC)F)F

InChI

InChI=1S/C30H34F2O3/c1-3-5-7-8-10-22-11-17-25(18-12-22)35-30(33)24-15-13-23(14-16-24)26-19-20-27(29(32)28(26)31)34-21-9-6-4-2/h11-20H,3-10,21H2,1-2H3