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

Systemtic Name: 5-[2,5-bis(fluoranyl)heptoxy]-2-(4-dodecylphenyl)pyrimidine Openeye Name: 5-(2,5-difluoroheptoxy)-2-(4-dodecylphenyl)pyrimidine CAS Name: 5-(2,5-difluoroheptoxy)-2-(4-dodecylphenyl)pyrimidine IUPAC Name: 5-(2,5-difluoroheptoxy)-2-(4-dodecylphenyl)pyrimidine Traditional Name: 5-(2,5-difluoroheptoxy)-2-(4-laurylphenyl)pyrimidine Formula: C29H44F2N2O MolecularWeight: 474.669266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCC(CC)F)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCC(CC)F)F

InChI

InChI=1S/C29H44F2N2O/c1-3-5-6-7-8-9-10-11-12-13-14-24-15-17-25(18-16-24)29-32-21-28(22-33-29)34-23-27(31)20-19-26(30)4-2/h15-18,21-22,26-27H,3-14,19-20,23H2,1-2H3