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

Systemtic Name: 5-[2,6-bis(fluoranyl)undecoxy]-2-(4-dodecylphenyl)pyrimidine Openeye Name: 5-(2,6-difluoroundecoxy)-2-(4-dodecylphenyl)pyrimidine CAS Name: 5-(2,6-difluoroundecoxy)-2-(4-dodecylphenyl)pyrimidine IUPAC Name: 5-(2,6-difluoroundecoxy)-2-(4-dodecylphenyl)pyrimidine Traditional Name: 5-(2,6-difluoroundecoxy)-2-(4-laurylphenyl)pyrimidine Formula: C33H52F2N2O MolecularWeight: 530.775586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCCC(CCCCC)F)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCCC(CCCCC)F)F

InChI

InChI=1S/C33H52F2N2O/c1-3-5-7-8-9-10-11-12-13-15-17-28-21-23-29(24-22-28)33-36-25-32(26-37-33)38-27-31(35)20-16-19-30(34)18-14-6-4-2/h21-26,30-31H,3-20,27H2,1-2H3