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

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)octoxy]phenyl]-5-nonyl-pyrimidine Openeye Name: 2-[4-(3,4-difluorooctoxy)phenyl]-5-nonyl-pyrimidine CAS Name: 2-[4-(3,4-difluorooctoxy)phenyl]-5-nonylpyrimidine IUPAC Name: 2-[4-(3,4-difluorooctoxy)phenyl]-5-nonylpyrimidine Traditional Name: 2-[4-(3,4-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(C(CCCC)F)F

Isomeric SMILES

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

InChI

InChI=1S/C27H40F2N2O/c1-3-5-7-8-9-10-11-12-22-20-30-27(31-21-22)23-14-16-24(17-15-23)32-19-18-26(29)25(28)13-6-4-2/h14-17,20-21,25-26H,3-13,18-19H2,1-2H3