dimethyl(octadecyl)azanium; 1,2,3,4,5-pentakis(fluoranyl)-6-[2,3,4,5-tetrakis(fluoranyl)phenyl]benzene; borate

Systemtic Name: dimethyl(octadecyl)azanium; 1,2,3,4,5-pentakis(fluoranyl)-6-[2,3,4,5-tetrakis(fluoranyl)phenyl]benzene; borate Openeye Name: dimethyl(octadecyl)ammonium; 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluorophenyl)benzene; borate CAS Name: dimethyl(octadecyl)ammonium; 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluorophenyl)benzene; borate IUPAC Name: dimethyl(octadecyl)azanium; 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluorophenyl)benzene; borate Traditional Name: dimethyl(stearyl)ammonium; 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluorophenyl)benzene; borate Formula: C108H136BF36N3O3 MolecularWeight: 2219.007255

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCCCC[NH+](C)C.C1=C(C(=C(C(=C1F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1=C(C(=C(C(=C1F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1=C(C(=C(C(=C1F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1=C(C(=C(C(=C1F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

Isomeric SMILES

B([O-])([O-])[O-].CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCCCC[NH+](C)C.C1=C(C(=C(C(=C1F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1=C(C(=C(C(=C1F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1=C(C(=C(C(=C1F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1=C(C(=C(C(=C1F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/3C20H43N.4C12HF9.BO3/c3*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;4*13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17;2-1(3)4/h3*4-20H2,1-3H3;4*1H;/q;;;;;;;-3/p+3