2-[4-[8-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecakis(fluoranyl)octoxy]phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-[8-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecakis(fluoranyl)octoxy]phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-[8-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-octoxy]phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-[8-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy]phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-[8-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy]phenyl]-5-octylpyrimidine Traditional Name: 2-[4-[8-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-octoxy]phenyl]-5-octyl-pyrimidine Formula: C32H36F16N2O3 MolecularWeight: 800.614291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(C(C(C(C(C(C(C(OCCOCCCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(C(C(C(C(C(C(C(OCCOCCCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C32H36F16N2O3/c1-3-5-7-8-9-10-11-21-19-49-24(50-20-21)22-12-14-23(15-13-22)53-32(47,48)30(43,44)28(39,40)26(35,36)25(33,34)27(37,38)29(41,42)31(45,46)52-18-17-51-16-6-4-2/h12-15,19-20H,3-11,16-18H2,1-2H3