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

Systemtic Name: bismuth 7-oxidanylidene-4-phenyldiazenyl-cyclohepta-1,3,5-trien-1-olate Openeye Name: bismuth 7-oxo-4-phenylazo-cyclohepta-1,3,5-trien-1-olate CAS Name: bismuth 7-oxo-4-phenyldiazenyl-1-cyclohepta-1,3,5-trienolate IUPAC Name: bismuth 7-oxo-4-phenyldiazenylcyclohepta-1,3,5-trien-1-olate Traditional Name: bismuth 7-keto-4-phenylazo-cyclohepta-1,3,5-trien-1-olate Formula: C39H27BiN6O6 MolecularWeight: 884.64866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)[O-].C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)[O-].C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)[O-].[Bi+3]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)[O-].C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)[O-].C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)[O-].[Bi+3]

InChI

InChI=1S/3C13H10N2O2.Bi/c3*16-12-8-6-11(7-9-13(12)17)15-14-10-4-2-1-3-5-10;/h3*1-9H,(H,16,17);/q;;;+3/p-3