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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-5-nonyl-pyrimidine Openeye Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-nonyl-pyrimidine CAS Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-nonylpyrimidine IUPAC Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-nonylpyrimidine Traditional Name: 2-(2,3-difluoro-4-octoxy-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=C(C(=C(C=C2)OCCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCCCCCCCC)F)F

InChI

InChI=1S/C27H40F2N2O/c1-3-5-7-9-11-12-14-16-22-20-30-27(31-21-22)23-17-18-24(26(29)25(23)28)32-19-15-13-10-8-6-4-2/h17-18,20-21H,3-16,19H2,1-2H3