5-[2,5-bis(fluoranyl)heptoxy]-2-(4-undecylphenyl)pyrimidine

Systemtic Name: 5-[2,5-bis(fluoranyl)heptoxy]-2-(4-undecylphenyl)pyrimidine Openeye Name: 5-(2,5-difluoroheptoxy)-2-(4-undecylphenyl)pyrimidine CAS Name: 5-(2,5-difluoroheptoxy)-2-(4-undecylphenyl)pyrimidine IUPAC Name: 5-(2,5-difluoroheptoxy)-2-(4-undecylphenyl)pyrimidine Traditional Name: 5-(2,5-difluoroheptoxy)-2-(4-undecylphenyl)pyrimidine Formula: C28H42F2N2O MolecularWeight: 460.642686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCC(CC)F)F

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCC(CC)F)F

InChI

InChI=1S/C28H42F2N2O/c1-3-5-6-7-8-9-10-11-12-13-23-14-16-24(17-15-23)28-31-20-27(21-32-28)33-22-26(30)19-18-25(29)4-2/h14-17,20-21,25-26H,3-13,18-19,22H2,1-2H3