tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); oxoazanide

Systemtic Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); oxoazanide Openeye Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); nitroxyl anion CAS Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); nitroxyl anion IUPAC Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); nitroxyl anion Traditional Name: tert-butyl-(3,5-dimethylphenyl)azanide; molybdenum(4+); nitroxyl anion Formula: C36H54MoN4O MolecularWeight: 654.78016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.[N-]=O.[Mo+4]

Isomeric SMILES

CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.[N-]=O.[Mo+4]

InChI

InChI=1S/3C12H18N.Mo.NO/c3*1-9-6-10(2)8-11(7-9)13-12(3,4)5;;1-2/h3*6-8H,1-5H3;;/q3*-1;+4;-1