[2-butanoyloxy-3,3,3-tris(fluoranyl)propyl] 4-(4-octylphenyl)benzoate

Systemtic Name: [2-butanoyloxy-3,3,3-tris(fluoranyl)propyl] 4-(4-octylphenyl)benzoate Openeye Name: (2-butanoyloxy-3,3,3-trifluoro-propyl) 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid [3,3,3-trifluoro-2-(1-oxobutoxy)propyl] ester IUPAC Name: (2-butanoyloxy-3,3,3-trifluoropropyl) 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid (2-butyryloxy-3,3,3-trifluoro-propyl) ester Formula: C28H35F3O4 MolecularWeight: 492.57031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C(F)(F)F)OC(=O)CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C(F)(F)F)OC(=O)CCC

InChI

InChI=1S/C28H35F3O4/c1-3-5-6-7-8-9-11-21-12-14-22(15-13-21)23-16-18-24(19-17-23)27(33)34-20-25(28(29,30)31)35-26(32)10-4-2/h12-19,25H,3-11,20H2,1-2H3