benzoic acid; hydrogen peroxide; oxidanylidenemolybdenum; tetratert-butylazanium

Systemtic Name: benzoic acid; hydrogen peroxide; oxidanylidenemolybdenum; tetratert-butylazanium Openeye Name: benzoic acid; hydrogen peroxide; oxomolybdenum; tetratert-butylammonium CAS Name: benzoic acid; hydrogen peroxide; oxomolybdenum; tetratert-butylammonium IUPAC Name: benzoic acid; hydrogen peroxide; oxomolybdenum; tetratert-butylazanium Traditional Name: benzoic acid; hydrogen peroxide; ketomolybdenum; tetratert-butylammonium Formula: C23H46MoNO7+ MolecularWeight: 544.55384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.C1=CC=C(C=C1)C(=O)O.OO.OO.O=[Mo]

Isomeric SMILES

CC(C)(C)[N+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.C1=CC=C(C=C1)C(=O)O.OO.OO.O=[Mo]

InChI

InChI=1S/C16H36N.C7H6O2.Mo.2H2O2.O/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12;8-7(9)6-4-2-1-3-5-6;;2*1-2;/h1-12H3;1-5H,(H,8,9);;2*1-2H;/q+1;;;;;