[2,5-bis(fluoranyl)phenyl]-butyl-hexyl-azanium; tetraheptylboranuide

Systemtic Name: [2,5-bis(fluoranyl)phenyl]-butyl-hexyl-azanium; tetraheptylboranuide Openeye Name: butyl-(2,5-difluorophenyl)-hexyl-ammonium; tetraheptylboranuide CAS Name: butyl-(2,5-difluorophenyl)-hexylammonium; tetraheptylboranuide IUPAC Name: butyl-(2,5-difluorophenyl)-hexylazanium; tetraheptylboranuide Traditional Name: butyl-(2,5-difluorophenyl)-hexyl-ammonium; tetraheptylboranuide Formula: C44H86BF2N MolecularWeight: 677.968146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](CCCCCCC)(CCCCCCC)(CCCCCCC)CCCCCCC.CCCCCC[NH+](CCCC)C1=C(C=CC(=C1)F)F

Isomeric SMILES

[B-](CCCCCCC)(CCCCCCC)(CCCCCCC)CCCCCCC.CCCCCC[NH+](CCCC)C1=C(C=CC(=C1)F)F

InChI

InChI=1S/C28H60B.C16H25F2N/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;1-3-5-7-8-12-19(11-6-4-2)16-13-14(17)9-10-15(16)18/h5-28H2,1-4H3;9-10,13H,3-8,11-12H2,1-2H3/q-1;/p+1