5-[2,4-bis(fluoranyl)octoxy]-2-(4-decylphenyl)pyrimidine

Systemtic Name: 5-[2,4-bis(fluoranyl)octoxy]-2-(4-decylphenyl)pyrimidine Openeye Name: 2-(4-decylphenyl)-5-(2,4-difluorooctoxy)pyrimidine CAS Name: 2-(4-decylphenyl)-5-(2,4-difluorooctoxy)pyrimidine IUPAC Name: 2-(4-decylphenyl)-5-(2,4-difluorooctoxy)pyrimidine Traditional Name: 2-(4-decylphenyl)-5-(2,4-difluorooctoxy)pyrimidine Formula: C28H42F2N2O MolecularWeight: 460.642686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(CCCC)F)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CC(CCCC)F)F

InChI

InChI=1S/C28H42F2N2O/c1-3-5-7-8-9-10-11-12-13-23-15-17-24(18-16-23)28-31-20-27(21-32-28)33-22-26(30)19-25(29)14-6-4-2/h15-18,20-21,25-26H,3-14,19,22H2,1-2H3