[1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(4-hexoxyphenyl)benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(4-hexoxyphenyl)benzoate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C25H31F3O4 MolecularWeight: 452.50645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C25H31F3O4/c1-3-5-6-7-17-31-22-14-12-20(13-15-22)19-8-10-21(11-9-19)24(29)32-23(25(26,27)28)18-30-16-4-2/h8-15,23H,3-7,16-18H2,1-2H3