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

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(4-nonoxyphenyl)benzoate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 4-(4-nonoxyphenyl)benzoate CAS Name: 4-(4-nonoxyphenyl)benzoic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 4-(4-nonoxyphenyl)benzoate Traditional Name: 4-(4-nonoxyphenyl)benzoic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C29H39F3O4 MolecularWeight: 508.61277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39F3O4/c1-3-5-7-8-9-10-11-21-35-26-18-16-24(17-19-26)23-12-14-25(15-13-23)28(33)36-27(29(30,31)32)22-34-20-6-4-2/h12-19,27H,3-11,20-22H2,1-2H3