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

Systemtic Name: [2,6-dimethyl-4-[2-(4-methylphenyl)ethynyl]phenyl]azaniumylidynemolybdenum; molybdenum; octadecahydrate Openeye Name: [2,6-dimethyl-4-[2-(p-tolyl)ethynyl]phenyl]nitriliomolybdenum; molybdenum; octadecahydrate CAS Name: [2,6-dimethyl-4-[2-(4-methylphenyl)ethynyl]phenyl]nitriliomolybdenum; molybdenum; octadecahydrate IUPAC Name: [2,6-dimethyl-4-[2-(4-methylphenyl)ethynyl]phenyl]azaniumylidynemolybdenum; molybdenum; octadecahydrate Traditional Name: [2,6-dimethyl-4-[2-(p-tolyl)ethynyl]phenyl]nitriliomolybdenum; molybdenum; octadecahydrate Formula: C17H51Mo6NO18+ MolecularWeight: 1133.22274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC(=C(C(=C2)C)[N+]#[Mo])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=C(C=C1)C#CC2=CC(=C(C(=C2)C)[N+]#[Mo])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/C17H15N.6Mo.18H2O/c1-12-4-6-15(7-5-12)8-9-16-10-13(2)17(18)14(3)11-16;;;;;;;;;;;;;;;;;;;;;;;;/h4-7,10-11H,1-3H3;;;;;;;18*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;