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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(2-fluoranyloctoxy)phenyl]-5-undecyl-pyrimidine Openeye Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-undecyl-pyrimidine CAS Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-undecylpyrimidine IUPAC Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-undecylpyrimidine Traditional Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-undecyl-pyrimidine Formula: C29H43F3N2O MolecularWeight: 492.65973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCC(CCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCC(CCCCCC)F)F)F

InChI

InChI=1S/C29H43F3N2O/c1-3-5-7-9-10-11-12-13-14-16-23-20-33-29(34-21-23)25-18-19-26(28(32)27(25)31)35-22-24(30)17-15-8-6-4-2/h18-21,24H,3-17,22H2,1-2H3