bis(oxidanidyl)-bis(oxidanylidene)molybdenum; tris(phenylmethyl)azanium

Systemtic Name: bis(oxidanidyl)-bis(oxidanylidene)molybdenum; tris(phenylmethyl)azanium Openeye Name: dioxido(dioxo)molybdenum; tribenzylammonium CAS Name: dioxido(dioxo)molybdenum; tris(phenylmethyl)ammonium IUPAC Name: dioxido(dioxo)molybdenum; tribenzylazanium Traditional Name: diketo(dioxido)molybdenum; tribenzylammonium Formula: C21H22Mo8NO32-15 MolecularWeight: 1567.90688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3.[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3.[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-]

InChI

InChI=1S/C21H21N.8Mo.32O/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-15H,16-18H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;16*-1/p+1