[4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-[3-(trifluoromethyl)nonyl]phenyl] ester IUPAC Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-[3-(trifluoromethyl)nonyl]phenyl] ester Formula: C37H47F3O3 MolecularWeight: 596.76249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H47F3O3/c1-3-5-7-9-10-12-28-42-34-26-21-31(22-27-34)30-17-19-32(20-18-30)36(41)43-35-24-15-29(16-25-35)14-23-33(37(38,39)40)13-11-8-6-4-2/h15-22,24-27,33H,3-14,23,28H2,1-2H3