4-[2-[4-butoxy-1,1,2,2,3,3,4,4-octakis(fluoranyl)butoxy]phenyl]-5-octyl-pyrimidine

Systemtic Name: 4-[2-[4-butoxy-1,1,2,2,3,3,4,4-octakis(fluoranyl)butoxy]phenyl]-5-octyl-pyrimidine Openeye Name: 4-[2-(4-butoxy-1,1,2,2,3,3,4,4-octafluoro-butoxy)phenyl]-5-octyl-pyrimidine CAS Name: 4-[2-(4-butoxy-1,1,2,2,3,3,4,4-octafluorobutoxy)phenyl]-5-octylpyrimidine IUPAC Name: 4-[2-(4-butoxy-1,1,2,2,3,3,4,4-octafluorobutoxy)phenyl]-5-octylpyrimidine Traditional Name: 4-[2-(4-butoxy-1,1,2,2,3,3,4,4-octafluoro-butoxy)phenyl]-5-octyl-pyrimidine Formula: C26H32F8N2O2 MolecularWeight: 556.531706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OC(C(C(C(OCCCC)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OC(C(C(C(OCCCC)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C26H32F8N2O2/c1-3-5-7-8-9-10-13-19-17-35-18-36-22(19)20-14-11-12-15-21(20)38-26(33,34)24(29,30)23(27,28)25(31,32)37-16-6-4-2/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3