[6-hexanoyloxy-2-(trifluoromethyl)oxan-3-yl] 4-(4-heptylphenyl)benzoate

Systemtic Name: [6-hexanoyloxy-2-(trifluoromethyl)oxan-3-yl] 4-(4-heptylphenyl)benzoate Openeye Name: [6-hexanoyloxy-2-(trifluoromethyl)tetrahydropyran-3-yl] 4-(4-heptylphenyl)benzoate CAS Name: 4-(4-heptylphenyl)benzoic acid [6-(1-oxohexoxy)-2-(trifluoromethyl)-3-oxanyl] ester IUPAC Name: [6-hexanoyloxy-2-(trifluoromethyl)oxan-3-yl] 4-(4-heptylphenyl)benzoate Traditional Name: 4-(4-heptylphenyl)benzoic acid [6-caproyloxy-2-(trifluoromethyl)tetrahydropyran-3-yl] ester Formula: C32H41F3O5 MolecularWeight: 562.66015

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(OC3C(F)(F)F)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(OC3C(F)(F)F)OC(=O)CCCCC

InChI

InChI=1S/C32H41F3O5/c1-3-5-7-8-10-11-23-13-15-24(16-14-23)25-17-19-26(20-18-25)31(37)38-27-21-22-29(40-30(27)32(33,34)35)39-28(36)12-9-6-4-2/h13-20,27,29-30H,3-12,21-22H2,1-2H3