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

Systemtic Name: [5-acetyloxy-6-(trifluoromethyl)oxan-2-yl] 4-(4-hexoxyphenyl)benzoate Openeye Name: [5-acetoxy-6-(trifluoromethyl)tetrahydropyran-2-yl] 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid [5-acetyloxy-6-(trifluoromethyl)-2-oxanyl] ester IUPAC Name: [5-acetyloxy-6-(trifluoromethyl)oxan-2-yl] 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid [5-acetoxy-6-(trifluoromethyl)tetrahydropyran-2-yl] ester Formula: C27H31F3O6 MolecularWeight: 508.52665

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31F3O6/c1-3-4-5-6-17-33-22-13-11-20(12-14-22)19-7-9-21(10-8-19)26(32)36-24-16-15-23(34-18(2)31)25(35-24)27(28,29)30/h7-14,23-25H,3-6,15-17H2,1-2H3