5-[3,5-bis(fluoranyl)heptoxy]-2-(4-decylphenyl)pyrimidine

Systemtic Name: 5-[3,5-bis(fluoranyl)heptoxy]-2-(4-decylphenyl)pyrimidine Openeye Name: 2-(4-decylphenyl)-5-(3,5-difluoroheptoxy)pyrimidine CAS Name: 2-(4-decylphenyl)-5-(3,5-difluoroheptoxy)pyrimidine IUPAC Name: 2-(4-decylphenyl)-5-(3,5-difluoroheptoxy)pyrimidine Traditional Name: 2-(4-decylphenyl)-5-(3,5-difluoroheptoxy)pyrimidine Formula: C27H40F2N2O MolecularWeight: 446.616106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CC(CC)F)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CC(CC)F)F

InChI

InChI=1S/C27H40F2N2O/c1-3-5-6-7-8-9-10-11-12-22-13-15-23(16-14-22)27-30-20-26(21-31-27)32-18-17-25(29)19-24(28)4-2/h13-16,20-21,24-25H,3-12,17-19H2,1-2H3