2-[4-[2,6-bis(fluoranyl)nonoxy]phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-[2,6-bis(fluoranyl)nonoxy]phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(2,6-difluorononoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(2,6-difluorononoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(2,6-difluorononoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(2,6-difluorononoxy)phenyl]-5-octyl-pyrimidine Formula: C27H40F2N2O MolecularWeight: 446.616106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CCCC(CCC)F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CCCC(CCC)F)F

InChI

InChI=1S/C27H40F2N2O/c1-3-5-6-7-8-9-12-22-19-30-27(31-20-22)23-15-17-26(18-16-23)32-21-25(29)14-10-13-24(28)11-4-2/h15-20,24-25H,3-14,21H2,1-2H3