[1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(4-octylphenyl)benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(4-octylphenyl)benzoate Openeye Name: [2,2,2-trifluoro-1-(methoxymethyl)ethyl] 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid (1,1,1-trifluoro-3-methoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-methoxypropan-2-yl) 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid [2,2,2-trifluoro-1-(methoxymethyl)ethyl] ester Formula: C25H31F3O3 MolecularWeight: 436.50705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

InChI

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