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

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

Systemtic Name:5-[3,4-bis(fluoranyl)octoxy]-2-(4-decylphenyl)pyrimidine
Openeye Name:2-(4-decylphenyl)-5-(3,4-difluorooctoxy)pyrimidine
CAS Name:2-(4-decylphenyl)-5-(3,4-difluorooctoxy)pyrimidine
IUPAC Name:2-(4-decylphenyl)-5-(3,4-difluorooctoxy)pyrimidine
Traditional Name:2-(4-decylphenyl)-5-(3,4-difluorooctoxy)pyrimidine
Formula: C28H42F2N2O
MolecularWeight: 460.642686
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H42F2N2O/c1-3-5-7-8-9-10-11-12-13-23-15-17-24(18-16-23)28-31-21-25(22-32-28)33-20-19-27(30)26(29)14-6-4-2/h15-18,21-22,26-27H,3-14,19-20H2,1-2H3


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