[5-hexoxy-6-(trifluoromethyl)oxan-2-yl] 4-(4-hexoxyphenyl)benzoate

Systemtic Name: [5-hexoxy-6-(trifluoromethyl)oxan-2-yl] 4-(4-hexoxyphenyl)benzoate Openeye Name: [5-hexoxy-6-(trifluoromethyl)tetrahydropyran-2-yl] 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid [5-hexoxy-6-(trifluoromethyl)-2-oxanyl] ester IUPAC Name: [5-hexoxy-6-(trifluoromethyl)oxan-2-yl] 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid [5-hexoxy-6-(trifluoromethyl)tetrahydropyran-2-yl] ester Formula: C31H41F3O5 MolecularWeight: 550.64945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1CCC(OC1C(F)(F)F)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCOC1CCC(OC1C(F)(F)F)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C31H41F3O5/c1-3-5-7-9-21-36-26-17-15-24(16-18-26)23-11-13-25(14-12-23)30(35)39-28-20-19-27(29(38-28)31(32,33)34)37-22-10-8-6-4-2/h11-18,27-29H,3-10,19-22H2,1-2H3