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

Systemtic Name: (4-pentylcyclohexyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate Openeye Name: (4-pentylcyclohexyl) 4-(2,3-difluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-octoxyphenyl)benzoic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 4-(2,3-difluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(2,3-difluoro-4-octoxy-phenyl)benzoic acid (4-amylcyclohexyl) ester Formula: C32H44F2O3 MolecularWeight: 514.686766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCCCC)F)F

InChI

InChI=1S/C32H44F2O3/c1-3-5-7-8-9-11-23-36-29-22-21-28(30(33)31(29)34)25-15-17-26(18-16-25)32(35)37-27-19-13-24(14-20-27)12-10-6-4-2/h15-18,21-22,24,27H,3-14,19-20,23H2,1-2H3