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

Systemtic Name: 5-[3,4-bis(fluoranyl)heptoxy]-2-(4-decylphenyl)pyrimidine Openeye Name: 2-(4-decylphenyl)-5-(3,4-difluoroheptoxy)pyrimidine CAS Name: 2-(4-decylphenyl)-5-(3,4-difluoroheptoxy)pyrimidine IUPAC Name: 2-(4-decylphenyl)-5-(3,4-difluoroheptoxy)pyrimidine Traditional Name: 2-(4-decylphenyl)-5-(3,4-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(C(CCC)F)F

Isomeric SMILES

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

InChI

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