[2,5-bis(fluoranyl)phenyl]-hexyl-propyl-azanium; tetrakis[2,3,4,5,6-pentakis(fluoranyl)-1H-inden-1-yl]boranuide

Systemtic Name: [2,5-bis(fluoranyl)phenyl]-hexyl-propyl-azanium; tetrakis[2,3,4,5,6-pentakis(fluoranyl)-1H-inden-1-yl]boranuide Openeye Name: (2,5-difluorophenyl)-hexyl-propyl-ammonium; tetrakis(2,3,4,5,6-pentafluoro-1H-inden-1-yl)boranuide CAS Name: (2,5-difluorophenyl)-hexyl-propylammonium; tetrakis(2,3,4,5,6-pentafluoro-1H-inden-1-yl)boranuide IUPAC Name: (2,5-difluorophenyl)-hexyl-propylazanium; tetrakis(2,3,4,5,6-pentafluoro-1H-inden-1-yl)boranuide Traditional Name: (2,5-difluorophenyl)-hexyl-propyl-ammonium; tetrakis(2,3,4,5,6-pentafluoro-1H-inden-1-yl)boranuide Formula: C51H32BF22N MolecularWeight: 1087.58235

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1C2=CC(=C(C(=C2C(=C1F)F)F)F)F)(C3C4=CC(=C(C(=C4C(=C3F)F)F)F)F)(C5C6=CC(=C(C(=C6C(=C5F)F)F)F)F)C7C8=CC(=C(C(=C8C(=C7F)F)F)F)F.CCCCCC[NH+](CCC)C1=C(C=CC(=C1)F)F

Isomeric SMILES

[B-](C1C2=CC(=C(C(=C2C(=C1F)F)F)F)F)(C3C4=CC(=C(C(=C4C(=C3F)F)F)F)F)(C5C6=CC(=C(C(=C6C(=C5F)F)F)F)F)C7C8=CC(=C(C(=C8C(=C7F)F)F)F)F.CCCCCC[NH+](CCC)C1=C(C=CC(=C1)F)F

InChI

InChI=1S/C36H8BF20.C15H23F2N/c38-9-1-5-13(25(46)21(9)42)29(50)33(54)17(5)37(18-6-2-10(39)22(43)26(47)14(6)30(51)34(18)55,19-7-3-11(40)23(44)27(48)15(7)31(52)35(19)56)20-8-4-12(41)24(45)28(49)16(8)32(53)36(20)57;1-3-5-6-7-11-18(10-4-2)15-12-13(16)8-9-14(15)17/h1-4,17-20H;8-9,12H,3-7,10-11H2,1-2H3/q-1;/p+1