1-isocyano-4-nitro-benzene; technetium-99

Systemtic Name: 1-isocyano-4-nitro-benzene; technetium-99 Openeye Name: 1-isocyano-4-nitro-benzene; technetium-99 CAS Name: 1-isocyano-4-nitrobenzene; technetium-99 IUPAC Name: 1-isocyano-4-nitrobenzene; technetium-99 Traditional Name: 1-isocyano-4-nitro-benzene; technetium-99 Formula: C42H24N12O12Tc MolecularWeight: 987.619415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-].[C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-].[C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-].[C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-].[C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-].[C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-].[99Tc]

InChI

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