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

Systemtic Name: [4-ethynyl-2,6-di(propan-2-yl)phenyl]azaniumylidynemolybdenum; molybdenum; octadecahydrate Openeye Name: (4-ethynyl-2,6-diisopropyl-phenyl)nitriliomolybdenum; molybdenum; octadecahydrate CAS Name: [4-ethynyl-2,6-di(propan-2-yl)phenyl]nitriliomolybdenum; molybdenum; octadecahydrate IUPAC Name: [4-ethynyl-2,6-di(propan-2-yl)phenyl]azaniumylidynemolybdenum; molybdenum; octadecahydrate Traditional Name: (4-ethynyl-2,6-diisopropyl-phenyl)nitriliomolybdenum; molybdenum; octadecahydrate Formula: C14H53Mo6NO18+ MolecularWeight: 1099.20652

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Descriptors Computed from Structure

Canonical SMILES:

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

CC(C)C1=CC(=CC(=C1[N+]#[Mo])C(C)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/C14H17N.6Mo.18H2O/c1-6-11-7-12(9(2)3)14(15)13(8-11)10(4)5;;;;;;;;;;;;;;;;;;;;;;;;/h1,7-10H,2-5H3;;;;;;;18*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;