3-acetyloxy-3,5-ditert-butyl-2-diazonio-4-oxidanylidene-cyclohexa-1,5-dien-1-olate

Systemtic Name: 3-acetyloxy-3,5-ditert-butyl-2-diazonio-4-oxidanylidene-cyclohexa-1,5-dien-1-olate Openeye Name: 3-acetoxy-3,5-ditert-butyl-2-diazonio-4-oxo-cyclohexa-1,5-dien-1-olate CAS Name: 3-acetyloxy-3,5-ditert-butyl-2-diazonio-4-oxo-1-cyclohexa-1,5-dienolate IUPAC Name: 3-acetyloxy-3,5-ditert-butyl-2-diazonio-4-oxocyclohexa-1,5-dien-1-olate Traditional Name: 3-acetoxy-3,5-ditert-butyl-2-diazonio-4-keto-cyclohexa-1,5-dien-1-olate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C(=C(C=C(C1=O)C(C)(C)C)[O-])[N+]#N)C(C)(C)C

Isomeric SMILES

CC(=O)OC1(C(=C(C=C(C1=O)C(C)(C)C)[O-])[N+]#N)C(C)(C)C

InChI

InChI=1S/C16H22N2O4/c1-9(19)22-16(15(5,6)7)12(18-17)11(20)8-10(13(16)21)14(2,3)4/h8H,1-7H3