2-[2,3-bis(fluoranyl)-4-(2-fluoranyloctoxy)phenyl]-5-nonyl-pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(2-fluoranyloctoxy)phenyl]-5-nonyl-pyrimidine Openeye Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-nonyl-pyrimidine CAS Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-nonylpyrimidine IUPAC Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-nonylpyrimidine Traditional Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-nonyl-pyrimidine Formula: C27H39F3N2O MolecularWeight: 464.60657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCC(CCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCC(CCCCCC)F)F)F

InChI

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