1,1,1-tris(fluoranyl)heptan-2-yl 4-(4-acetyloxyphenyl)-3-ethoxy-benzoate

Systemtic Name: 1,1,1-tris(fluoranyl)heptan-2-yl 4-(4-acetyloxyphenyl)-3-ethoxy-benzoate Openeye Name: 1-(trifluoromethyl)hexyl 4-(4-acetoxyphenyl)-3-ethoxy-benzoate CAS Name: 4-(4-acetyloxyphenyl)-3-ethoxybenzoic acid 1,1,1-trifluoroheptan-2-yl ester IUPAC Name: 1,1,1-trifluoroheptan-2-yl 4-(4-acetyloxyphenyl)-3-ethoxybenzoate Traditional Name: 4-(4-acetoxyphenyl)-3-ethoxy-benzoic acid 1-(trifluoromethyl)hexyl ester Formula: C24H27F3O5 MolecularWeight: 452.46339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(F)(F)F)OC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C)OCC

Isomeric SMILES

CCCCCC(C(F)(F)F)OC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C)OCC

InChI

InChI=1S/C24H27F3O5/c1-4-6-7-8-22(24(25,26)27)32-23(29)18-11-14-20(21(15-18)30-5-2)17-9-12-19(13-10-17)31-16(3)28/h9-15,22H,4-8H2,1-3H3