(4-decoxyphenyl) 4-[5,5,5-tris(fluoranyl)-4-propoxy-pentyl]benzoate

Systemtic Name: (4-decoxyphenyl) 4-[5,5,5-tris(fluoranyl)-4-propoxy-pentyl]benzoate Openeye Name: (4-decoxyphenyl) 4-(5,5,5-trifluoro-4-propoxy-pentyl)benzoate CAS Name: 4-(5,5,5-trifluoro-4-propoxypentyl)benzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 4-(5,5,5-trifluoro-4-propoxypentyl)benzoate Traditional Name: 4-(5,5,5-trifluoro-4-propoxy-pentyl)benzoic acid (4-decoxyphenyl) ester Formula: C31H43F3O4 MolecularWeight: 536.66593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC(C(F)(F)F)OCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC(C(F)(F)F)OCCC

InChI

InChI=1S/C31H43F3O4/c1-3-5-6-7-8-9-10-11-24-36-27-19-21-28(22-20-27)38-30(35)26-17-15-25(16-18-26)13-12-14-29(31(32,33)34)37-23-4-2/h15-22,29H,3-14,23-24H2,1-2H3