2-[4-[3,6-bis(fluoranyl)octoxy]phenyl]-5-nonyl-pyrimidine

Systemtic Name: 2-[4-[3,6-bis(fluoranyl)octoxy]phenyl]-5-nonyl-pyrimidine Openeye Name: 2-[4-(3,6-difluorooctoxy)phenyl]-5-nonyl-pyrimidine CAS Name: 2-[4-(3,6-difluorooctoxy)phenyl]-5-nonylpyrimidine IUPAC Name: 2-[4-(3,6-difluorooctoxy)phenyl]-5-nonylpyrimidine Traditional Name: 2-[4-(3,6-difluorooctoxy)phenyl]-5-nonyl-pyrimidine Formula: C27H40F2N2O MolecularWeight: 446.616106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(CCC(CC)F)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(CCC(CC)F)F

InChI

InChI=1S/C27H40F2N2O/c1-3-5-6-7-8-9-10-11-22-20-30-27(31-21-22)23-12-16-26(17-13-23)32-19-18-25(29)15-14-24(28)4-2/h12-13,16-17,20-21,24-25H,3-11,14-15,18-19H2,1-2H3