4,6-bis(fluoranyl)-2-[4-(2-fluoranyloctoxy)phenyl]-5-nonyl-pyrimidine

Systemtic Name: 4,6-bis(fluoranyl)-2-[4-(2-fluoranyloctoxy)phenyl]-5-nonyl-pyrimidine Openeye Name: 4,6-difluoro-2-[4-(2-fluorooctoxy)phenyl]-5-nonyl-pyrimidine CAS Name: 4,6-difluoro-2-[4-(2-fluorooctoxy)phenyl]-5-nonylpyrimidine IUPAC Name: 4,6-difluoro-2-[4-(2-fluorooctoxy)phenyl]-5-nonylpyrimidine Traditional Name: 4,6-difluoro-2-[4-(2-fluorooctoxy)phenyl]-5-nonyl-pyrimidine Formula: C27H39F3N2O MolecularWeight: 464.60657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(N=C(N=C1F)C2=CC=C(C=C2)OCC(CCCCCC)F)F

Isomeric SMILES

CCCCCCCCCC1=C(N=C(N=C1F)C2=CC=C(C=C2)OCC(CCCCCC)F)F

InChI

InChI=1S/C27H39F3N2O/c1-3-5-7-9-10-11-13-15-24-25(29)31-27(32-26(24)30)21-16-18-23(19-17-21)33-20-22(28)14-12-8-6-4-2/h16-19,22H,3-15,20H2,1-2H3