[7-ethoxy-1,1,1-tris(fluoranyl)heptan-2-yl] 2-fluoranyl-4-phenylmethoxy-benzoate

Systemtic Name: [7-ethoxy-1,1,1-tris(fluoranyl)heptan-2-yl] 2-fluoranyl-4-phenylmethoxy-benzoate Openeye Name: [6-ethoxy-1-(trifluoromethyl)hexyl] 4-benzyloxy-2-fluoro-benzoate CAS Name: 2-fluoro-4-phenylmethoxybenzoic acid (7-ethoxy-1,1,1-trifluoroheptan-2-yl) ester IUPAC Name: (7-ethoxy-1,1,1-trifluoroheptan-2-yl) 2-fluoro-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-2-fluoro-benzoic acid [6-ethoxy-1-(trifluoromethyl)hexyl] ester Formula: C23H26F4O4 MolecularWeight: 442.443753

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCCC(C(F)(F)F)OC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)F

Isomeric SMILES

CCOCCCCCC(C(F)(F)F)OC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)F

InChI

InChI=1S/C23H26F4O4/c1-2-29-14-8-4-7-11-21(23(25,26)27)31-22(28)19-13-12-18(15-20(19)24)30-16-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15,21H,2,4,7-8,11,14,16H2,1H3