2-(4-octoxyphenyl)-5-[3,3,3-tris(fluoranyl)-2-hexoxy-propoxy]pyrimidine

Systemtic Name: 2-(4-octoxyphenyl)-5-[3,3,3-tris(fluoranyl)-2-hexoxy-propoxy]pyrimidine Openeye Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-hexoxy-propoxy)pyrimidine CAS Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-hexoxypropoxy)pyrimidine IUPAC Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-hexoxypropoxy)pyrimidine Traditional Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-hexoxy-propoxy)pyrimidine Formula: C27H39F3N2O3 MolecularWeight: 496.60537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(F)(F)F)OCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(F)(F)F)OCCCCCC

InChI

InChI=1S/C27H39F3N2O3/c1-3-5-7-9-10-12-17-33-23-15-13-22(14-16-23)26-31-19-24(20-32-26)35-21-25(27(28,29)30)34-18-11-8-6-4-2/h13-16,19-20,25H,3-12,17-18,21H2,1-2H3