bismuth 4-nitro-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate

Systemtic Name: bismuth 4-nitro-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: bismuth 4-nitro-7-oxo-cyclohepta-1,3,5-trien-1-olate CAS Name: bismuth 4-nitro-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: bismuth 4-nitro-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: bismuth 7-keto-4-nitro-cyclohepta-1,3,5-trien-1-olate Formula: C21H12BiN3O12 MolecularWeight: 707.31326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC=C1[N+](=O)[O-])[O-].C1=CC(=O)C(=CC=C1[N+](=O)[O-])[O-].C1=CC(=O)C(=CC=C1[N+](=O)[O-])[O-].[Bi+3]

Isomeric SMILES

C1=CC(=O)C(=CC=C1[N+](=O)[O-])[O-].C1=CC(=O)C(=CC=C1[N+](=O)[O-])[O-].C1=CC(=O)C(=CC=C1[N+](=O)[O-])[O-].[Bi+3]

InChI

InChI=1S/3C7H5NO4.Bi/c3*9-6-3-1-5(8(11)12)2-4-7(6)10;/h3*1-4H,(H,9,10);/q;;;+3/p-3