5-[3,7-bis(fluoranyl)dodecoxy]-2-(4-dodecylphenyl)pyrimidine

Systemtic Name: 5-[3,7-bis(fluoranyl)dodecoxy]-2-(4-dodecylphenyl)pyrimidine Openeye Name: 5-(3,7-difluorododecoxy)-2-(4-dodecylphenyl)pyrimidine CAS Name: 5-(3,7-difluorododecoxy)-2-(4-dodecylphenyl)pyrimidine IUPAC Name: 5-(3,7-difluorododecoxy)-2-(4-dodecylphenyl)pyrimidine Traditional Name: 5-(3,7-difluorododecoxy)-2-(4-laurylphenyl)pyrimidine Formula: C34H54F2N2O MolecularWeight: 544.802166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54F2N2O/c1-3-5-7-8-9-10-11-12-13-15-17-29-21-23-30(24-22-29)34-37-27-33(28-38-34)39-26-25-32(36)20-16-19-31(35)18-14-6-4-2/h21-24,27-28,31-32H,3-20,25-26H2,1-2H3