1-isocyano-3-nitro-benzene; technetium(6+)

Systemtic Name: 1-isocyano-3-nitro-benzene; technetium(6+) Openeye Name: 1-isocyano-3-nitro-benzene; technetium(6+) CAS Name: 1-isocyano-3-nitrobenzene; technetium(6+) IUPAC Name: 1-isocyano-3-nitrobenzene; technetium(6+) Traditional Name: 1-isocyano-3-nitro-benzene; technetium(6+) Formula: C42H24N12O12Tc+6 MolecularWeight: 986.620376

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[Tc+6]

Isomeric SMILES

[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[C-]#[N+]C1=CC(=CC=C1)[N+](=O)[O-].[Tc+6]

InChI

InChI=1S/6C7H4N2O2.Tc/c6*1-8-6-3-2-4-7(5-6)9(10)11;/h6*2-5H;/q;;;;;;+6