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

Systemtic Name: 5-[2,3-bis(fluoranyl)octoxy]-2-(4-dodecylphenyl)pyrimidine Openeye Name: 5-(2,3-difluorooctoxy)-2-(4-dodecylphenyl)pyrimidine CAS Name: 5-(2,3-difluorooctoxy)-2-(4-dodecylphenyl)pyrimidine IUPAC Name: 5-(2,3-difluorooctoxy)-2-(4-dodecylphenyl)pyrimidine Traditional Name: 5-(2,3-difluorooctoxy)-2-(4-laurylphenyl)pyrimidine Formula: C30H46F2N2O MolecularWeight: 488.695846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46F2N2O/c1-3-5-7-8-9-10-11-12-13-15-16-25-18-20-26(21-19-25)30-33-22-27(23-34-30)35-24-29(32)28(31)17-14-6-4-2/h18-23,28-29H,3-17,24H2,1-2H3