bismuth; 5-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: bismuth; 5-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: bismuth; 2-hydroxy-5-nitro-cyclohepta-2,4,6-trien-1-one CAS Name: bismuth; 2-hydroxy-5-nitro-1-cyclohepta-2,4,6-trienone IUPAC Name: bismuth; 2-hydroxy-5-nitrocyclohepta-2,4,6-trien-1-one Traditional Name: bismuth; 2-hydroxy-5-nitro-cyclohepta-2,4,6-trien-1-one Formula: C21H15BiN3O12 MolecularWeight: 710.33708

Click to see the large picture

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]

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]

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);