(4-iodanyl-2,6-dimethyl-phenyl)azaniumylidynemolybdenum; molybdenum; octadecahydrate

Systemtic Name: (4-iodanyl-2,6-dimethyl-phenyl)azaniumylidynemolybdenum; molybdenum; octadecahydrate Openeye Name: (4-iodo-2,6-dimethyl-phenyl)nitriliomolybdenum; molybdenum; octadecahydrate CAS Name: (4-iodo-2,6-dimethylphenyl)nitriliomolybdenum; molybdenum; octadecahydrate IUPAC Name: (4-iodo-2,6-dimethylphenyl)azaniumylidynemolybdenum; molybdenum; octadecahydrate Traditional Name: (4-iodo-2,6-dimethyl-phenyl)nitriliomolybdenum; molybdenum; octadecahydrate Formula: C8H44IMo6NO18+ MolecularWeight: 1144.97533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+]#[Mo])C)I.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo]

Isomeric SMILES

CC1=CC(=CC(=C1[N+]#[Mo])C)I.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo]

InChI

InChI=1S/C8H8IN.6Mo.18H2O/c1-5-3-7(9)4-6(2)8(5)10;;;;;;;;;;;;;;;;;;;;;;;;/h3-4H,1-2H3;;;;;;;18*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;