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

Systemtic Name: (4-ethynyl-2,6-dimethyl-phenyl)azaniumylidynemolybdenum; molybdenum; octadecahydrate Openeye Name: (4-ethynyl-2,6-dimethyl-phenyl)nitriliomolybdenum; molybdenum; octadecahydrate CAS Name: (4-ethynyl-2,6-dimethylphenyl)nitriliomolybdenum; molybdenum; octadecahydrate IUPAC Name: (4-ethynyl-2,6-dimethylphenyl)azaniumylidynemolybdenum; molybdenum; octadecahydrate Traditional Name: (4-ethynyl-2,6-dimethyl-phenyl)nitriliomolybdenum; molybdenum; octadecahydrate Formula: C10H45Mo6NO18+ MolecularWeight: 1043.1002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+]#[Mo])C)C#C.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)C#C.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/C10H9N.6Mo.18H2O/c1-4-9-5-7(2)10(11)8(3)6-9;;;;;;;;;;;;;;;;;;;;;;;;/h1,5-6H,2-3H3;;;;;;;18*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;