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

Systemtic Name: dihydrogen borate; dimethyl-(2,4,6-trimethylphenyl)azanium; 1,2,3,4,5-pentakis(fluoranyl)-6-[2,3,4,5,6-pentakis(fluoranyl)phenyl]benzene Openeye Name: dihydrogen borate; dimethyl-(2,4,6-trimethylphenyl)ammonium; 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene CAS Name: dihydrogen borate; dimethyl-(2,4,6-trimethylphenyl)ammonium; 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene IUPAC Name: dihydrogen borate; dimethyl-(2,4,6-trimethylphenyl)azanium; 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene Traditional Name: dihydrogen borate; mesityl(dimethyl)ammonium; 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene Formula: C59H20BF40NO3 MolecularWeight: 1561.542128

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Descriptors Computed from Structure

Canonical SMILES:

B(O)(O)[O-].CC1=CC(=C(C(=C1)C)[NH+](C)C)C.C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

Isomeric SMILES

B(O)(O)[O-].CC1=CC(=C(C(=C1)C)[NH+](C)C)C.C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F.C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/4C12F10.C11H17N.BH2O3/c4*13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;1-8-6-9(2)11(12(4)5)10(3)7-8;2-1(3)4/h;;;;6-7H,1-5H3;2-3H/q;;;;;-1/p+1