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

Systemtic Name: 5-[2,3-bis(fluoranyl)hexoxy]-2-(4-dodecylphenyl)pyrimidine Openeye Name: 5-(2,3-difluorohexoxy)-2-(4-dodecylphenyl)pyrimidine CAS Name: 5-(2,3-difluorohexoxy)-2-(4-dodecylphenyl)pyrimidine IUPAC Name: 5-(2,3-difluorohexoxy)-2-(4-dodecylphenyl)pyrimidine Traditional Name: 5-(2,3-difluorohexoxy)-2-(4-laurylphenyl)pyrimidine Formula: C28H42F2N2O MolecularWeight: 460.642686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42F2N2O/c1-3-5-6-7-8-9-10-11-12-13-15-23-16-18-24(19-17-23)28-31-20-25(21-32-28)33-22-27(30)26(29)14-4-2/h16-21,26-27H,3-15,22H2,1-2H3