3-tert-butyl-1-oxidanidyl-2-oxidanyl-5-phenyl-pyrazol-1-ium; copper

Systemtic Name: 3-tert-butyl-1-oxidanidyl-2-oxidanyl-5-phenyl-pyrazol-1-ium; copper Openeye Name: 5-tert-butyl-1-hydroxy-2-oxido-3-phenyl-pyrazol-2-ium; copper CAS Name: 5-tert-butyl-1-hydroxy-2-oxido-3-phenylpyrazol-2-ium; copper IUPAC Name: 5-tert-butyl-1-hydroxy-2-oxido-3-phenylpyrazol-2-ium; copper Traditional Name: 5-tert-butyl-1-hydroxy-2-oxido-3-phenyl-pyrazol-2-ium; copper Formula: C26H32CuN4O4 MolecularWeight: 528.10268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[N+](N1O)[O-])C2=CC=CC=C2.CC(C)(C)C1=CC(=[N+](N1O)[O-])C2=CC=CC=C2.[Cu]

Isomeric SMILES

CC(C)(C)C1=CC(=[N+](N1O)[O-])C2=CC=CC=C2.CC(C)(C)C1=CC(=[N+](N1O)[O-])C2=CC=CC=C2.[Cu]

InChI

InChI=1S/2C13H16N2O2.Cu/c2*1-13(2,3)12-9-11(14(16)15(12)17)10-7-5-4-6-8-10;/h2*4-9,17H,1-3H3;