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

Systemtic Name: 5-[2,5-bis(fluoranyl)nonoxy]-2-(4-dodecylphenyl)pyrimidine Openeye Name: 5-(2,5-difluorononoxy)-2-(4-dodecylphenyl)pyrimidine CAS Name: 5-(2,5-difluorononoxy)-2-(4-dodecylphenyl)pyrimidine IUPAC Name: 5-(2,5-difluorononoxy)-2-(4-dodecylphenyl)pyrimidine Traditional Name: 5-(2,5-difluorononoxy)-2-(4-laurylphenyl)pyrimidine Formula: C31H48F2N2O MolecularWeight: 502.722426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48F2N2O/c1-3-5-7-8-9-10-11-12-13-14-15-26-17-19-27(20-18-26)31-34-23-30(24-35-31)36-25-29(33)22-21-28(32)16-6-4-2/h17-20,23-24,28-29H,3-16,21-22,25H2,1-2H3