[2,2,2-tris(fluoranyl)-1-(4-phenylmethoxyphenyl)ethyl] hexanoate

Systemtic Name: [2,2,2-tris(fluoranyl)-1-(4-phenylmethoxyphenyl)ethyl] hexanoate Openeye Name: [1-(4-benzyloxyphenyl)-2,2,2-trifluoro-ethyl] hexanoate CAS Name: hexanoic acid [2,2,2-trifluoro-1-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2,2,2-trifluoro-1-(4-phenylmethoxyphenyl)ethyl] hexanoate Traditional Name: hexanoic acid [1-(4-benzoxyphenyl)-2,2,2-trifluoro-ethyl] ester Formula: C21H23F3O3 MolecularWeight: 380.40073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCCC(=O)OC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C21H23F3O3/c1-2-3-5-10-19(25)27-20(21(22,23)24)17-11-13-18(14-12-17)26-15-16-8-6-4-7-9-16/h4,6-9,11-14,20H,2-3,5,10,15H2,1H3