[4-iodanyl-2,6-di(propan-2-yl)phenyl]azaniumylidynemolybdenum; molybdenum; octadecahydrate

Systemtic Name: [4-iodanyl-2,6-di(propan-2-yl)phenyl]azaniumylidynemolybdenum; molybdenum; octadecahydrate Openeye Name: (4-iodo-2,6-diisopropyl-phenyl)nitriliomolybdenum; molybdenum; octadecahydrate CAS Name: [4-iodo-2,6-di(propan-2-yl)phenyl]nitriliomolybdenum; molybdenum; octadecahydrate IUPAC Name: [4-iodo-2,6-di(propan-2-yl)phenyl]azaniumylidynemolybdenum; molybdenum; octadecahydrate Traditional Name: (4-iodo-2,6-diisopropyl-phenyl)nitriliomolybdenum; molybdenum; octadecahydrate Formula: C12H52IMo6NO18+ MolecularWeight: 1201.08165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1[N+]#[Mo])C(C)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

CC(C)C1=CC(=CC(=C1[N+]#[Mo])C(C)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/C12H16IN.6Mo.18H2O/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14;;;;;;;;;;;;;;;;;;;;;;;;/h5-8H,1-4H3;;;;;;;18*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;