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

Systemtic Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-hexadecoxyphenyl)benzoate Openeye Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-hexadecoxyphenyl)benzoate CAS Name: 4-(4-hexadecoxyphenyl)benzoic acid [4-[3-(trifluoromethyl)nonyl]phenyl] ester IUPAC Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-hexadecoxyphenyl)benzoate Traditional Name: 4-(4-cetyloxyphenyl)benzoic acid [4-[3-(trifluoromethyl)nonyl]phenyl] ester Formula: C45H63F3O3 MolecularWeight: 708.97513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=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/C45H63F3O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-36-50-42-34-29-39(30-35-42)38-25-27-40(28-26-38)44(49)51-43-32-23-37(24-33-43)22-31-41(45(46,47)48)21-19-8-6-4-2/h23-30,32-35,41H,3-22,31,36H2,1-2H3