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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C(CCC)F)F

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C(CCC)F)F

InChI

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