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

Systemtic Name: [5-hexanoyloxy-6-(trifluoromethyl)oxan-2-yl] 4-(4-hexoxyphenyl)benzoate Openeye Name: [5-hexanoyloxy-6-(trifluoromethyl)tetrahydropyran-2-yl] 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid [5-(1-oxohexoxy)-6-(trifluoromethyl)-2-oxanyl] ester IUPAC Name: [5-hexanoyloxy-6-(trifluoromethyl)oxan-2-yl] 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid [5-caproyloxy-6-(trifluoromethyl)tetrahydropyran-2-yl] ester Formula: C31H39F3O6 MolecularWeight: 564.63297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(C(O3)C(F)(F)F)OC(=O)CCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(C(O3)C(F)(F)F)OC(=O)CCCCC

InChI

InChI=1S/C31H39F3O6/c1-3-5-7-9-21-37-25-17-15-23(16-18-25)22-11-13-24(14-12-22)30(36)40-28-20-19-26(29(39-28)31(32,33)34)38-27(35)10-8-6-4-2/h11-18,26,28-29H,3-10,19-21H2,1-2H3