[1,1,1-tris(fluoranyl)-4-phenyl-butan-2-yl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-4-phenyl-butan-2-yl] 4-(4-octoxyphenyl)benzoate Openeye Name: [3-phenyl-1-(trifluoromethyl)propyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid (1,1,1-trifluoro-4-phenylbutan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-4-phenylbutan-2-yl) 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [3-phenyl-1-(trifluoromethyl)propyl] ester Formula: C31H35F3O3 MolecularWeight: 512.60301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(CCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(CCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C31H35F3O3/c1-2-3-4-5-6-10-23-36-28-20-18-26(19-21-28)25-14-16-27(17-15-25)30(35)37-29(31(32,33)34)22-13-24-11-8-7-9-12-24/h7-9,11-12,14-21,29H,2-6,10,13,22-23H2,1H3