tetrakis(phenylmethyl)azanium; tetraphenoxyalumanuide

Systemtic Name: tetrakis(phenylmethyl)azanium; tetraphenoxyalumanuide Openeye Name: tetrabenzylammonium; tetraphenoxyalumanuide CAS Name: tetrakis(phenylmethyl)ammonium; tetraphenoxyalumanuide IUPAC Name: tetrabenzylazanium; tetraphenoxyalumanuide Traditional Name: tetrabenzylammonium; tetraphenoxyalumanuide Formula: C52H48AlNO4 MolecularWeight: 777.923358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4.C1=CC=C(C=C1)O[Al-](OC2=CC=CC=C2)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4.C1=CC=C(C=C1)O[Al-](OC2=CC=CC=C2)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H28N.4C6H6O.Al/c1-5-13-25(14-6-1)21-29(22-26-15-7-2-8-16-26,23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28;4*7-6-4-2-1-3-5-6;/h1-20H,21-24H2;4*1-5,7H;/q+1;;;;;+3/p-4