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5-[3,6-bis(fluoranyl)undecoxy]-2-(4-decylphenyl)pyrimidine

5-[3,6-bis(fluoranyl)undecoxy]-2-(4-decylphenyl)pyrimidine

Systemtic Name:5-[3,6-bis(fluoranyl)undecoxy]-2-(4-decylphenyl)pyrimidine
Openeye Name:2-(4-decylphenyl)-5-(3,6-difluoroundecoxy)pyrimidine
CAS Name:2-(4-decylphenyl)-5-(3,6-difluoroundecoxy)pyrimidine
IUPAC Name:2-(4-decylphenyl)-5-(3,6-difluoroundecoxy)pyrimidine
Traditional Name:2-(4-decylphenyl)-5-(3,6-difluoroundecoxy)pyrimidine
Formula: C31H48F2N2O
MolecularWeight: 502.722426
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C31H48F2N2O/c1-3-5-7-8-9-10-11-13-14-26-16-18-27(19-17-26)31-34-24-30(25-35-31)36-23-22-29(33)21-20-28(32)15-12-6-4-2/h16-19,24-25,28-29H,3-15,20-23H2,1-2H3


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