[3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(4-heptylphenyl)benzoate

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(4-heptylphenyl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(4-heptylphenyl)benzoate CAS Name: 4-(4-heptylphenyl)benzoic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 4-(4-heptylphenyl)benzoate Traditional Name: 4-(4-heptylphenyl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C25H31F3O3 MolecularWeight: 436.50705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

InChI

InChI=1S/C25H31F3O3/c1-3-5-6-7-8-9-19-10-12-20(13-11-19)21-14-16-22(17-15-21)24(29)31-23(18-30-4-2)25(26,27)28/h10-17,23H,3-9,18H2,1-2H3