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

Systemtic Name: 2-(4-octoxyphenyl)-5-[3,3,3-tris(fluoranyl)-2-heptoxy-propoxy]pyrimidine Openeye Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-heptoxy-propoxy)pyrimidine CAS Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-heptoxypropoxy)pyrimidine IUPAC Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-heptoxypropoxy)pyrimidine Traditional Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-heptoxy-propoxy)pyrimidine Formula: C28H41F3N2O3 MolecularWeight: 510.63195

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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)OCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H41F3N2O3/c1-3-5-7-9-11-12-18-34-24-16-14-23(15-17-24)27-32-20-25(21-33-27)36-22-26(28(29,30)31)35-19-13-10-8-6-4-2/h14-17,20-21,26H,3-13,18-19,22H2,1-2H3