1,1'-biphenyl; hexyl(2-methylpentyl)azanium; tetrapentylboranuide

Systemtic Name: 1,1'-biphenyl; hexyl(2-methylpentyl)azanium; tetrapentylboranuide Openeye Name: biphenyl; hexyl(2-methylpentyl)ammonium; tetrapentylboranuide CAS Name: 1,1'-biphenyl; hexyl(2-methylpentyl)ammonium; tetrapentylboranuide IUPAC Name: 1,1'-biphenyl; hexyl(2-methylpentyl)azanium; tetrapentylboranuide Traditional Name: biphenyl; hexyl(2-methylpentyl)ammonium; tetraamylboranuide Formula: C44H82BN MolecularWeight: 635.93958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](CCCCC)(CCCCC)(CCCCC)CCCCC.CCCCCC[NH2+]CC(C)CCC.C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

[B-](CCCCC)(CCCCC)(CCCCC)CCCCC.CCCCCC[NH2+]CC(C)CCC.C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H44B.C12H27N.C12H10/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;1-4-6-7-8-10-13-11-12(3)9-5-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5-20H2,1-4H3;12-13H,4-11H2,1-3H3;1-10H/q-1;;/p+1