3-acetyloxy-3,6-ditert-butyl-2,5-didiazonio-6-oxidanyl-cyclohexa-1,4-diene-1,4-diolate

Systemtic Name: 3-acetyloxy-3,6-ditert-butyl-2,5-didiazonio-6-oxidanyl-cyclohexa-1,4-diene-1,4-diolate Openeye Name: 3-acetoxy-3,6-ditert-butyl-2,5-didiazonio-6-hydroxy-cyclohexa-1,4-diene-1,4-diolate CAS Name: 3-acetyloxy-3,6-ditert-butyl-2,5-didiazonio-6-hydroxycyclohexa-1,4-diene-1,4-diolate IUPAC Name: 3-acetyloxy-3,6-ditert-butyl-2,5-didiazonio-6-hydroxycyclohexa-1,4-diene-1,4-diolate Traditional Name: 3-acetoxy-3,6-ditert-butyl-2,5-didiazonio-6-hydroxy-cyclohexa-1,4-diene-1,4-diolate Formula: C16H22N4O5 MolecularWeight: 350.36968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c1-8(21)25-16(14(5,6)7)10(20-18)11(22)15(24,13(2,3)4)9(19-17)12(16)23/h24H,1-7H3