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

Systemtic Name: 2-[2-[2,2,3,3,4,4-hexakis(fluoranyl)butoxy]-4-[1,1,2,2,3,3,4,4-octakis(fluoranyl)-4-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butoxy]butoxy]phenyl]-5-octyl-pyrimidine Openeye Name: 2-[2-(2,2,3,3,4,4-hexafluorobutoxy)-4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butoxy]phenyl]-5-octyl-pyrimidine CAS Name: 2-[2-(2,2,3,3,4,4-hexafluorobutoxy)-4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butoxy]phenyl]-5-octylpyrimidine IUPAC Name: 2-[2-(2,2,3,3,4,4-hexafluorobutoxy)-4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butoxy]phenyl]-5-octylpyrimidine Traditional Name: 2-[2-(2,2,3,3,4,4-hexafluorobutoxy)-4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butoxy]phenyl]-5-octyl-pyrimidine Formula: C30H25F23N2O3 MolecularWeight: 898.494374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(C(C(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(F)F)(F)F)(F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(C(C(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(F)F)(F)F)(F)F

InChI

InChI=1S/C30H25F23N2O3/c1-2-3-4-5-6-7-8-15-12-54-19(55-13-15)17-10-9-16(11-18(17)56-14-21(33,34)22(35,36)20(31)32)57-28(48,49)25(41,42)26(43,44)30(52,53)58-29(50,51)24(39,40)23(37,38)27(45,46)47/h9-13,20H,2-8,14H2,1H3