[3,3,3-tris(fluoranyl)-2-pentanoyloxy-propyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [3,3,3-tris(fluoranyl)-2-pentanoyloxy-propyl] 4-(4-octoxyphenyl)benzoate Openeye Name: (3,3,3-trifluoro-2-pentanoyloxy-propyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [3,3,3-trifluoro-2-(1-oxopentoxy)propyl] ester IUPAC Name: (3,3,3-trifluoro-2-pentanoyloxypropyl) 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (3,3,3-trifluoro-2-valeryloxy-propyl) ester Formula: C29H37F3O5 MolecularWeight: 522.59629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C(F)(F)F)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C(F)(F)F)OC(=O)CCCC

InChI

InChI=1S/C29H37F3O5/c1-3-5-7-8-9-10-20-35-25-18-16-23(17-19-25)22-12-14-24(15-13-22)28(34)36-21-26(29(30,31)32)37-27(33)11-6-4-2/h12-19,26H,3-11,20-21H2,1-2H3