5-[2,6-bis(fluoranyl)octoxy]-2-(4-octylphenyl)pyrimidine

Systemtic Name: 5-[2,6-bis(fluoranyl)octoxy]-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(2,6-difluorooctoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(2,6-difluorooctoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(2,6-difluorooctoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(2,6-difluorooctoxy)-2-(4-octylphenyl)pyrimidine Formula: C26H38F2N2O MolecularWeight: 432.589526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38F2N2O/c1-3-5-6-7-8-9-11-21-14-16-22(17-15-21)26-29-18-25(19-30-26)31-20-24(28)13-10-12-23(27)4-2/h14-19,23-24H,3-13,20H2,1-2H3