[4-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]phenyl] 5-octoxy-2-phenyl-benzoate

Systemtic Name: [4-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]phenyl] 5-octoxy-2-phenyl-benzoate Openeye Name: [4-[1-(trifluoromethyl)heptoxycarbonyl]phenyl] 5-octoxy-2-phenyl-benzoate CAS Name: 5-octoxy-2-phenylbenzoic acid [4-[oxo(1,1,1-trifluorooctan-2-yloxy)methyl]phenyl] ester IUPAC Name: [4-(1,1,1-trifluorooctan-2-yloxycarbonyl)phenyl] 5-octoxy-2-phenylbenzoate Traditional Name: 5-octoxy-2-phenyl-benzoic acid [4-[1-(trifluoromethyl)heptoxycarbonyl]phenyl] ester Formula: C36H43F3O5 MolecularWeight: 612.71883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F

InChI

InChI=1S/C36H43F3O5/c1-3-5-7-9-10-15-25-42-30-23-24-31(27-16-12-11-13-17-27)32(26-30)35(41)43-29-21-19-28(20-22-29)34(40)44-33(36(37,38)39)18-14-8-6-4-2/h11-13,16-17,19-24,26,33H,3-10,14-15,18,25H2,1-2H3