[1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(4-nonoxyphenyl)benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(4-nonoxyphenyl)benzoate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 4-(4-nonoxyphenyl)benzoate CAS Name: 4-(4-nonoxyphenyl)benzoic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 4-(4-nonoxyphenyl)benzoate Traditional Name: 4-(4-nonoxyphenyl)benzoic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C28H37F3O4 MolecularWeight: 494.58619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C28H37F3O4/c1-3-5-6-7-8-9-10-20-34-25-17-15-23(16-18-25)22-11-13-24(14-12-22)27(32)35-26(28(29,30)31)21-33-19-4-2/h11-18,26H,3-10,19-21H2,1-2H3