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

Systemtic Name: 5-[3,6-bis(fluoranyl)undecoxy]-2-(4-dodecylphenyl)pyrimidine Openeye Name: 5-(3,6-difluoroundecoxy)-2-(4-dodecylphenyl)pyrimidine CAS Name: 5-(3,6-difluoroundecoxy)-2-(4-dodecylphenyl)pyrimidine IUPAC Name: 5-(3,6-difluoroundecoxy)-2-(4-dodecylphenyl)pyrimidine Traditional Name: 5-(3,6-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)OCCC(CCC(CCCCC)F)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CCC(CCCCC)F)F

InChI

InChI=1S/C33H52F2N2O/c1-3-5-7-8-9-10-11-12-13-15-16-28-18-20-29(21-19-28)33-36-26-32(27-37-33)38-25-24-31(35)23-22-30(34)17-14-6-4-2/h18-21,26-27,30-31H,3-17,22-25H2,1-2H3