5-[2,4-bis(fluoranyl)nonoxy]-2-(4-octylphenyl)pyrimidine

Systemtic Name: 5-[2,4-bis(fluoranyl)nonoxy]-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(2,4-difluorononoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(2,4-difluorononoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(2,4-difluorononoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(2,4-difluorononoxy)-2-(4-octylphenyl)pyrimidine Formula: C27H40F2N2O MolecularWeight: 446.616106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(CCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(CCCCC)F)F

InChI

InChI=1S/C27H40F2N2O/c1-3-5-7-8-9-11-12-22-14-16-23(17-15-22)27-30-19-26(20-31-27)32-21-25(29)18-24(28)13-10-6-4-2/h14-17,19-20,24-25H,3-13,18,21H2,1-2H3